***** slop07.dat - Sequential-access thermodynamic datafile *** to be used as input to PROGRAM cprons92, *** a code that converts sequential files into their *** direct-access equivalent (dslop07.dat), which is *** used by PROGRAM supcrt92. NOTE: species can be *** added, deleted, or modified using PROGRAM mprons92. *** *** last updated: 12.April.08 GEOPIG (TW, CG, PP, ES) *** ************************************************************************ *** *** REFERENCES: cited below as "ref:#,#,.." *** * * 1 ... Helgeson, H.C., Delany, J.M, Nesbitt, H.W., and Bird, D.K., * 1978, Summary and Critique of the Thermodynamic * Properties of Rock-Forming Minerals: Amer. Jour. Sci., * v. 278A, 229 p. * * 2 ... Shock, E.L., and Helgeson, H.C., 1988, Calculation of the * thermodynamic and transport properties of aqueous * species at high pressures and temperatures: Correlation * algorithms for ionic species and equation of state * predictions to 5 kb and 1000 C: Geochim. Cosmo. Acta, * v. 52, pp. 2009-2036. * * 3 ... Shock, E.L., Helgeson, H.C., and Sverjensky, D.A., 1989, * Calculation of the thermodynamic and transport * properties of aqueous species at high pressures and * temperatures: Standard partial molal properties of * inorganic neutral species: Geochim. Cosmo. Acta, v. 53, * pp. 2157-find2183. * * 4 ... Shock, E.L., and Helgeson, H.C., 1990, Calculation of the * thermodynamic and transport properties of aqueous * species at high pressures and temperatures: Standard * partial molal properties of organic species: * Geochim. Cosmo. Acta, v. 54, pp. 915-945. * * 4A ... Corrected values based on data from 4 * * 5 ... Sverjensky, D.A., Shock, E.L., and Helgeson, H.C., 1997, * Prediction of the thermodynamic properties of aqueous * metal complexes to 1000 C and 5 kb: Geochim. Cosmo. * Acta, v. 61, No. 7, pp. 1359-1412. * * 5A ... Corrected values based on data from 5 * * 6 ... Wagman, D.D., Evans, W.H., Parker, V.B., Schumm, R.H., * Halow, I., Bailey, S.M., Churney, K.L., Nuttall, R.L., * 1982, The NBS Tables of Chemical and Thermodynamic * Properties: Jour. Phys. Chem. Ref. Data, v. 11, * supplement no. 2, 392 p. * * 7 ... Robie, R.A., Hemingway, B.S., and Fisher, J.S., 1979, * Thermodynamic Properties of Minerals and Related * Substances at 298.15 K and 1 Bar (10**5 Pascals) * Pressure and at Higher Temperatures: U.S. Geol. Surv. * Bull. 1452, 456 p. * * 8 ... Kelley, K.K., 1960, Contributions to the Data in Theoretical * Metallurgy XIII: High Temperature Heat Content, Heat * Capacities and Entropy Data for the Elements and * Inorganic Compounds. U.S. Bureau of Mines Bulletin * 584, 232 p. * * 9 ... Bowers, T.S., and Helgeson, H.C., 1983, Calculation of the * thermodynamic and geochemical consequences of nonideal * mixing in the system H2O-CO2-NaCl on phase relations * in geologic systems: Equation of state for H2O-CO2-NaCl * fluids at high pressures and temperatures: Geochim. * Cosmo. Acta, v. 47, pp. 1247-1275. * * 10 ... Sverjensky, D.A., 1987, Calculations of the thermodynamic * properties of aqueous species and the solubilities of * minerals in supercritical electrolyte solutions, in * Carmichael, I.S.E. and H.P. Eugster, eds., Thermodynamic * Modeling of Geologic Materials: Minerals, Fluids and * Melts: Mineral. Soc. Amer., Reviews in Mineralogy, * v. 17, pp. 177-209. * 12 ... Jackson, K.J., and Helgeson, H.C., 1985, Chemical and * thermodynamic constraints on the hydrothermal transport * and deposition of tin: II. Interpretation of phase * relations in the Southeast Asian tin belt: Econ. Geol., * v. 80, no. 5, pp. 1365-1378. * * 13 ... Helgeson, H.C., 1985, Errata II. Thermodynamics of minerals, * reactions, and aqueous solutions at high pressures and * temperatures: Amer. Jour. Sci., v. 285, pp. 845-855. * * 14 ... Shock, E.L., and Helgeson, H.C., 1989, Corrections to Shock * and Helgeson (1988) [ref:2 above]: Geochim. Cosmo. * Acta, v. 53, p. 215. * * 15 ... Pankratz, L.B., 1970, Thermodynamic Data for Silver Chloride * and Silver Bromide: U.S. Bureau of Mines Report of * Investigations #7430, 12 p. * * 16 ... Pankratz, L.B., and King, E.G., 1970, High-Temperature * Enthalpies and entropies of chalcopyrite and bornite: * U.S. Bureau of Mines Report of Investigations #7435, * 10 p. * * 17 ... Johnson, J.W., Personal calculation, Earth Sciences Dept., * Lawrence Livermore National Lab., Livermore, CA. * Parameters given provide smooth metastable * extrapolation of one-bar steam properties predicted * by the Haar et al. (1984) equation of state to * temperatures < the saturation temperature (99.632 C). * * 18 ... Gibbs free energies calculated from solubility data reported by * Plummer, L.N. and Busenberg, E., 1982. The Solubilities * of Calcite, Aragonite, and Vaterite in CO2-H2O Solutions * Between 0 and 90 C and an Evaluation of the Aqueous * Model of the System CaCO3-CO2-H2O. Geochimica et * Cosmochimica Acta, Vol. 46, p. 1011-1040. Enthalpies * adjusted for the correction in the Gibbs free energy. * * 19 ... Gibbs free energies and enthalpies were corrected to be * consistant with updated values of Gibbs free * energies of Ca++ and CO3-- (Shock and Helgeson [ref:2 * above]) together with the solubilities of calcite and * aragonite reported by Busenberg and Plummer [ref:18 * above] * * 20 ... Sverjensky, D.A., Hemley, J.J., and D'Angelo, W.M., 1991, * Thermodynamic assessment of hydrothermal alkali feldspar- * mica-aluminosilicate equilibria: Geochim. Cosmo. Acta, * v. 55, pp. 989-1004. * * G1 ... Shock, E.L., 1992, Stability of peptides in high-temperature * aqueous solutions: Geochim. Cosmo. Acta, v. 56, pp. * 3481-3491. * * G2 ... Shock, E.L., 1993, Hydrothermal dehydration of aqueous organic * compounds: Geochim. Cosmo. Acta, v. 57, pp. 3341-2249. * * G3 ... Schulte, M.D., and Shock, E.L., 1993, Aldehydes in hydrothermal * solution: Standard partial molal thermodynamic properties * and relative stabilities at high temperatures and pressures: * Geochim. Cosmo. Acta, v. 57, pp. 3835-3846. * *G3A ... Corrected values based on data from G3 * * G4 ... Shock, E.L., and Koretsky, C.M., 1993, Metal-organic complexes * in geochemical processes: Calculation of standard partial * molal thermodynamic properties of aqueous acetate complexes * at high pressures and temperatures: Geochim. Cosmo. Acta, * v.57, pp. 4899-4922. * *G4A ... Corrected values based on data from G4 * * G5 ... Shock, E.L., and McKinnon, W.B., 1993, Hydrothermal Processing * of Cometary Volatiles--Applications to Triton: Icarus, * v. 106, pp. 464-477. * * G6 ... Shock, E.L., 1995, Organic acids in hydrothermal solution: * Standard molal thermodynamic properties of carboxylic acids * and estimates of dissociation constants at high temperatures * and pressures: Amer. Jour. Science, v. 295, pp. 496-580. * *G6A ... Corrected values based on data from G6 * * G7 ... Shock, E.L., and Koretsky, C.M., 1995, Metal-organic complexes in * geochemical processes: Estimation of standard partial molal * thermodynamic properties of aqueous complexes between metal * cations and monovalent organic acid ligands at high pressures * and temperatures: Geochim. Cosmo. Acta, v. 59, no. 8, * pp. 1497-1532. * *G7A ... These data were used in G7, but were not tabulated in the paper. * *G7B ... Corrected values based on data from G7 * * G8 ... Haas, J.R., Shock, E.L., and Sassani, D.C., 1995, Rare earth elements * in hydrothermal systems: Estimates of standard partial molal * thermodynamic properties of aqueous complexes of the rare earth * elements at high pressures and temperatures: Geochim. Cosmo. * Acta, v. 59, no. 21, pp. 4329-4350. * *G8A ... Corrected values based on data from G8 * * G9 ... Shock, E.L., Sassani, D.C., Willis, M., and Sverjensky, D.A., 1997, * Inorganic species in geologic fluids: Correlations among * standard molal thermodynamic properties of aqueous ions and * hydroxide complexes: Geochim. Cosmo. Acta, v. 61, no. 5, * pp. 907-950. * *G9A ... These data were used in G9, but were not tabulated in the paper. * *G10 ... Dale, J.D., Shock, E.L., MacLeod, G., Aplin, A.C., and Larter, * S.R., 1997, Standard partial molal properties of aqueous * alkylphenols at high pressures and temperatures: Geochim. Cosmo. * Acta, v. 61, no. 19, pp. 4017-4024. * *G11 ... Shock, E.L., Sassani, D.C., and Betz, H., 1997, Uranium in geologic * fluids: Estimates of standard partial molal properties, * oxidation potentials, and hydrolysis constants at high * temperatures and pressures: Geohim. Cosmo. Acta, v. 61, * pp. 4245-4266. * *G12 ... Sassani, D.C., and Shock, E.L. (1998) Solubility and transport of * platinum-group elements in supercritical fluids: Summary and * estimates of thermodynamic properties for Ru, Rh, Pd, and Pt * solids, aqueous ions and aqueous complexes. Geochim. Cosmochim. * Acta 62, 2643-2671. * *G13 ... McCollom, T.M., and Shock, E.L., 1997, Geochemical constraints on * chemolithoautotrophic metabolism by microorganisms in seafloor * hydrothermal systems: Geochim. Cosmo. Acta, v. 61, * pp. 4375-4391. * *G13A ... Data and parameters as used by G13. * *G14 ... Haas, J.R. and Shock, E.L. (1999) Halocarbons in the environment: * Estimates of themodynamic properties of aqueous chloroethylene * species and their stabilities in natural settings. * Geochim. Cosmochim. Acta 64, 3429-3441 * *G15 ... Murphy, W.M. and Shock, E.L. (1999) Environmental aqueous * geochemistry of actinides. Reviews in Mineralogy 38, 221-253 * *G16 ... Prapaipong, P., Shock, E.L., and Koretsky, C.M. (1999) Metal-organic * complexes in geochemical processes: Temperature dependence of * standard partial molal thermodynamic properties of aqueous * complexes between metal cations and dicarboxylate ligands. * Geochim. Cosmochim. Acta 63, 2547-2577 * *G17 ... Amend J.P. and Shock, E.L. (2001) Energetics of overall metabolic * reactions in thermphilic and hyperthermophilic Archaea and * Bacteria. FEMS Microbiology Reviews 25, 175-243 * *G18 ... Plyasunov, A.V. and Shock, E.L. (2001) Correlation strategy for * determining the parameters of the revised Helgeson-Kirkham- * Flowers model for aqueous nonelectrolytes. Geochim. Cosmochim. * Acta 65, 3879-3900 * *G19 ... Amend, J.P. and Plyasunov, A.V. (2001) Thermodynamic functions of * hydration of hydrocarbons at 298.15 K and 0.1 MPa. Geochim. * Cosmochim. Acta 64, 439-468 * *G20 ... Shock, E.L. (2008) Minerals as sources of metabolic energy. Economic * Geology (in prep). * *SR04 ... Schulte & Rogers (2004) Thiols in hydrothermal solution: standard * partial molal properties and their role in the organic * geochemistry of hydrothermal environments. Geochim. Cosmochim. * Acta 68, 1087–1097 * *PC1 ... Dick, J., LaRowe, D. and Helgeson, H.C. (2006) Temperature, pressure, * and electrochemical constraints on protein speciation: Group * additivity calculation of the standard molal thermodynamic * properties of ionized unfolded proteins. Biogeosciences 3, * 311-336 * *PC2 ... LaRowe, D. and Helgeson, H.C. (2006a) Biomolecules in hydrothermal * systems: Calculation of the standard molal thermodynamic * properties of nucleic-acid bases, nucleosides, and nucleotides * at elevated temperatures and pressures. Geochim. Cosmochim. * Acta 70, 4680–4724 * *PC3 ... LaRowe D. and Helgeson, H.C. (2006b)The energetics of metabolism in * hydrothermal systems: Calculation of the standard molal * thermodynamic properties of magnesium-complexed adenosine * nucleotides and NAD and NADP at elevated temperatures and * pressures. Thermochimica Acta 448, 82-106 * *Akinfiev ... Akinfiev N.N. and Zotov A.V., 2001, Thermodynamic description of * chloride, hydrosulfide, and hydroxo complexes of Ag(I), Cu(I), * and Au(I) at temperatures of 25-500 °C and pressures of 1-2000 * bar. Geochem. Int. 39, 990-1006. * *Bess ... Bessinger, Brad, and Apps, John A. The Hydrothermal Chemistry of Gold, * Arsenic, Antimony, Mercury and Silver. Unpublished manuscript. * *Liu05 ... Liu W. and McPhail D. C. (2005) Thermodynamic properties of copper * chloride complexes and copper transport in magmatic-hydrothermal * solutions. Chem. Geol. 221, 21-39. * *Mig09 ... Migdisov, A.A., Williams-Jones, A.E., Wagner, T., 2009. An * experimental study of the solubility and speciation of the Rare * Earth Elements (III) in fluoride- and chloride-bearing aqueous * solutions at temperatures up to 300 °C. * Geochim. Cosmochim. Acta 73, 7087–7109. * *MR1 .... GHSV entirely from Robie, Seal and Hemingway, 1994, Can. Min. 32, * p.945-956, but original supcrt Cp data kept. * *Pkr15 ... Pokrovski, G. S. and J. Dubessy (2015). Stability and abundance of * the trisulfur radical ion S3- in hydrothermal fluids." Earth and * Planetary Science Letters 411: 298-309. * *RG97 ... Goodgame, V.R. (1997) The distribution and origin of arsenic * and platinum group element mineralization in the Mariners nickel * deposit, Widgiemooltha, Western Australia. Ph.D. thesis, * University of Oregon. * *RSH94 ... Cu-Fe-S minerals (cv,cc,cp,bn only) Robie, Seal and Hemingway * Can Min, 32, p945-956 (1994) * *Stef01 ... Stefánsson, A. (2001). Dissolution of primary minerals of basalt ----------->in natural waters I. Calculation of mineral solubilities from ----------->0°C to 350°C." Chemical Geology 172: 225-250. (H4SiO4 only.) ----------->This file contains two records for aqueous silica, the new item ----------->here 'H4SiO4,aq', and the original ref #3 'SiO2,AQ'. * *TS01 ... Tagirov, B., Schott, J., 2001. Aluminum speciation in crustal ----------->fluids revisited. Geochim. Cosmochim. Acta 65, 3965-3992. ----------->This file contains two records for aqueous Al+3, the new item here ----------->'Al+3', and original ref G9 'Al+3_G9'. * *Wo92 ... Wolery, T.J. (1992) Extracted from the EQ3/6 database, LLNL. * *XI03 ... Xiong, Yongliang, 2003, Predicted equilibrium constants for solid and * aqueous selenium species to 300 C: Applications to selenium-rich * mineral deposits; Ore Geology Reviews 23 (2003) 259–276; recomputed * by Kyu-Youl Sung for inclusion in Soltherm (Feb 06), with assistance * from J. Palandri and M. Reed. * ************************************************************************ * * MINERAL ABBREVIATIONS ARE CONSISTENT WITH THOSE RECOMMENDED BY * THE AMERICAN MINERALOGIST AND PUBLISHED BY * * Kretz, R., 1983, Symbols for Rock-Forming Minerals: * Amer. Mineral., v. 68, pp. 277-279. *327 Comment lines end here!!!! ************************************************************************ minerals that do not undergo phase transitions ************************************************************************ Ag2O Ag2O Ag2O Ag(2)O(1) ref:Bess 16.Jun.05 -2676.0 -7399.1 29.0 30.0 11.13 15.48 0.0 623.15 AKERMANITE Ca2MgSi2O7 Ak Ca(2)Mg(1)Si(2)O(7) ref:1,19 15.Mar.90 -879362.0 -926497.0 50.030 92.810 60.090000 11.400000 -11.400000 1700.00 ALABANDITE MnS Alb Mn(1)S(1) ref:1 5.May.78 -52178.0 -51000.0 19.200 21.460 11.400000 1.800000 0.000000 1803.00 ALBITE,LOW Na(AlSi3)O8 Lo-Ab Na(1)Al(1)Si(3)O(8) ref:1 5.May.78 -886308.0 -939680.0 49.510 100.070 61.700000 13.900000 -15.010000 1400.00 ALTAITE PbTe alt Pb(1)Te(1) ref:RG97 13.July.95 -16090.0 -16392.0 26.290 40.600 11.276400 2.686400 -.001265 900.00 ALUNITE KAl3(OH)6(SO4)2 Alu K(1)Al(3)S(2)O(14)H(6) ref:1 5.May.78 -1113600.0 -1235600.0 78.400 293.600 153.450000 0.000000 -54.950000 650.00 AMESITE,7A Mg2Al(AlSi)O5(OH)4 Ams-7A Mg(2)Al(2)Si(1)O(9)H(4) ref:1 5.May.78 999999.0 999999.0 52.000 103.000 81.030000 24.738000 -20.230000 1000.00 AMORPHOUS-SI_old SiO2*NH2O Amor-Sl Si(1)O(2)H(2N)O(N) ref:1 5.May.78 -202892.0 -214568.0 14.340 29.000 5.930000 47.200000 -22.780000 622.00 AMORPHOUS-SILICA SiO2*NH2O Amor-Sl Si(1)O(2)H(2N)O(N) ref:1 5.May.78 -203246.6 -214923.2 14.340 29.000 5.930000 47.200000 -22.780000 622.00 AMORPHOUS-SItest SiO2*NH2O Amor-Sl Si(1)O(2)H(2N)O(N) ref:1 5.May.78 -203246.6 -214923.2 14.340 29.000 2.930000 42.200000 -27.780000 622.00 ANALCIME NaAlSi2O6*H2O Anl Na(1)Al(1)Si(2)O(7)H(2) ref:1 5.May.78 -738098.0 -790193.0 56.000 97.100 53.490000 24.140000 -8.880000 1000.00 ANALCIME,DEHYDRATED NaAlSi2O6 Dhyd-Anl Na(1)Al(1)Si(2)O(6) ref:1 5.May.78 -674989.0 -714678.0 41.900 89.100 42.090000 24.140000 -8.880000 1000.00 ANDALUSITE Al2SiO5 And Al(2)Si(1)O(5) ref:1 5.May.78 -580587.0 -615866.0 22.200 51.530 41.310833 6.292556 -12.392063 1043.00 ANDRADITE Ca3Fe2Si3O12 Adr Ca(3)Fe(2)Si(3)O(12) ref:1,19 15.Mar.90 -1296819.0 -1380345.0 70.130 131.850 113.532000 15.636000 -30.889000 1100.00 ANGLESITE PbSO4 Ang Pb(1)S(1)O(4) ref:1 5.May.78 -194353.0 -219870.0 35.510 47.950 10.960000 31.000000 4.200000 1100.00 ANHYDRITE CaSO4 Anh Ca(1)S(1)O(4) ref:1 5.May.78 -315925.0 -342760.0 25.500 45.940 16.780000 23.600000 0.000000 1453.00 ANNITE KFe3(AlSi3)O10(OH)2 Ann K(1)Fe(3)Al(1)Si(3)O(12)H(2) ref:1 5.May.78 -1147156.0 -1232195.0 95.200 154.320 106.430000 29.770000 -19.310000 1000.00 ANORTHITE Ca(Al2Si2)O8 An Ca(1)Al(2)Si(2)O(8) ref:1,19 15.Mar.90 -954078.0 -1007552.0 49.100 100.790 63.311000 14.794000 -15.440000 1700.00 ANTIMONY,NATIVE Sb Sb Sb(1) ref:Bess 16.Jun.05 0.0 0.0 10.773 18.18 2.49 5.93 1.88 623.15 ANTIMONSELITE Sb2Se3 anse Sb(2)Se(3) ref:Xi03 23.Feb.06 -30019.1 -30497.1 50.693 81.700 28.381931 0.005 0.0 888.00 ARAGONITE CaCO3 Arg Ca(1)C(1)O(3) ref:1,18 9.Mar.90 -269683.0 -288531.0 21.560 34.150 20.130000 10.240000 -3.340000 600.00 ARGENTITE Ag2S argt Ag(2)S(1) ref:Bess 16.Jun.05 -9450.0 -6152.5 36.0 34.8 21.64 0.0 0.0 623.15 ARSENIC_old As As As(1) ref:RG97 28.July.95 .0 .0 8.530 13.080 4.970000 .000000 .000000 875.00 ARSENIC As As As(1) ref:Bess 16.Jun.05 0.0 0.0 8.39 12.96 5.23 2.22 0.0 623.15 ARSENOLITE As2O3 arsenol As(2)O(3) ref:Bess 16.Jun.05 -137640.0 -156904.8 25.67 51.12 20.98 17.73 -2.70 623.15 ARSENOPYRITE_old FeAsS arspy Fe(1)As(1)S(1) ref:RG97 6.July.95 -26200.0 -25200.0 25.900 27.140 15.030000 9.700000 .320000 623.00 ARSENOPYRITE FeAsS arspy Fe(1)As(1)S(1) ref:Bess 16.Jun.05 -30000.0 -28989.3 25.9 26.42 15.03 9.7 0.34 623.15 ARTINITE Mg2(OH)2(CO3)*3H2O Art Mg(2)C(1))O(8)H(8) ref:1 5.May.78 -613915.0 -698043.0 55.670 96.900 70.870000 27.660000 -7.430000 1000.00 AZURITE Cu3(OH)2(CO3)2 Azr Cu(3)C(2)O(8)H(2) ref:1 5.May.78 -334417.0 -390100.0 66.970 91.010 36.880000 77.440000 -0.920000 780.00 BARITE BaSO4 Brt Ba(1)S(1)O(4) ref:1 5.May.78 -325563.0 -352100.0 31.600 52.100 33.800000 0.000000 -8.430000 1422.00 BEIDELLITE-Ca Ca.165Al2.33Si3.67O12H2 Bdl-Ca Ca(.165)Al(2.33)Si(3.67)O(12)H(2) ref:Wo92 -1280909.0 -1370670.5 58.300 129.530 82.191000 37.150000 -18.030000 600.00 BEIDELLITE-H H.33Al2.33Si3.67O12H2 Bdl-H H(.33)Al(2.33)Si(3.67)O(12)H(2) ref:Wo92 -1260416.0 -1351116.7 58.700 130.700 81.438000 38.330000 -17.770000 600.00 BEIDELLITE-K K.33Al2.33Si3.67O12H2 Bdl-K K(.33)Al(2.33)Si(3.67)O(12)H(2) ref:Wo92 -1281773.0 -1371907.9 60.510 133.730 83.319000 38.400000 -17.920000 600.00 BEIDELLITE-Mg Mg.165Al2.33Si3.67O12H2 Bdl-Mg Mg(.165)Al(2.33)Si(3.67)O(12)H(2) ref:Wo92 -1277064.0 -1366900.6 57.700 123.190 81.945000 37.260000 -18.020000 600.00 BEIDELLITE-Na Na.33Al2.33Si3.67O12H2 Bdl-Na Na(.33)Al(2.33)Si(3.67)O(12)H(2) ref:Wo92 -1279688.0 -1369780.2 59.620 130.540 83.277000 37.780000 -18.250000 600.00 BERNDTITE SnS2 Brn Sn(1)S(2) ref:12 5.May.78 -34750.0 -36700.0 20.900 40.960 15.510000 4.200000 0.000000 1000.00 BERTHIERITE FeSb2S4 berth Fe(1)Sb(2)S(4) ref:Bess 16.Jun.05 -61176.0 -61148.0 58.56 90.6 46.59 0.263 -3.86 623.15 BOEHMITE AlO(OH) Bhm Al(1)O(2)H(1) ref:1 5.May.78 -217250.0 -235078.0 11.580 19.535 14.435000 4.200000 0.000000 500.00 BROMELLITE BeO Brm Be(1)O(1) ref:1 5.May.78 999999.0 999999.0 3.380 8.309 8.450000 4.000000 -3.170000 1200.00 BRUCITE Mg(OH)2 Brc Mg(1)O(2)H(2) ref:1 5.May.78 -199646.0 -221390.0 15.090 24.630 24.147000 4.012400 -6.110000 900.00 CA-AL-PYROXENE CaAl(AlSi)O6 Ca-Al-Px Ca(1)Al(2)Si(1)O(6) ref:1,19 15.Mar.90 -742067.0 -783793.0 35.000 63.500 54.130000 6.420000 -14.900000 1400.00 CALCITE CaCO3 Cal Ca(1)C(1)O(3) ref:1,18 9.Mar.90 -269880.0 -288552.0 22.150 36.934 24.980000 5.240000 -6.200000 1200.00 CALCIUM Ca Ca Ca(1) ref:RG97 22.Apr.95 .0 .0 9.945 26.190 3.474900 5.669000 .790980 720.00 CASSITERITE SnO2 Cst Sn(1)O(2) ref:12 5.May.78 -124260.0 -138800.0 12.500 21.550 17.246000 2.802600 -4.900100 1500.00 CELADONITE K(MgAl)Si4O10(OH)2 Cln K(1)Mg(1)Al(1)Si(4)O(12)H(2) ref:1 5.May.78 999999.0 999999.0 74.900 157.100 80.250000 25.300000 -18.540000 1000.00 CELESTITE SrSO4 Cls Sr(1)S(1)O(4) ref:1 5.May.78 -320435.0 -347300.0 28.000 46.250 21.800000 13.300000 0.000000 1500.00 CERUSSITE PbCO3 Cer Pb(1)C(1)O(3) ref:1 5.May.78 -150370.0 -168000.0 31.300 40.590 12.390000 28.600000 0.000000 800.00 CHABAZITE Ca(Al2Si4)O12*6H2O Cbz Ca(1)Al(2)Si(4)O(18)H(12) ref:1 5.May.78 999999.0 999999.0 152.900 247.760 146.000000 44.470000 -16.430000 1000.00 CHALCEDONY_old SiO2 Cha Si(1)O(2) ref:1 5.May.78 -204276.0 -217282.0 9.880 22.688 11.220000 8.200000 -2.700000 848.00 CHALCEDONY SiO2 Cha Si(1)O(2) ref:1 5.May.78+Stefansson H4SiO4 -204629.9 -217636.3 9.880 22.688 11.220000 8.200000 -2.700000 848.00 CHLORARGYRITE AgCl Crg Ag(1)Cl(1) ref:7,15 5.May.78 -26247.0 -30370.0 23.000 25.727 14.330000 1.821000 -2.430000 728.00 CHLORITOID FeAl2SiO5(OH)2 Cld Fe(1)Al(2)Si(1)O(7)H(2) ref:1 5.May.78 999999.0 999999.0 42.100 69.800 60.630000 17.130000 -13.630000 1000.00 CHRYSOTILE Mg3Si2O5(OH)4 Ctl Mg(3)Si(2)O(9)H(4) ref:1 5.May.78 -964871.0 -1043123.0 52.900 108.500 75.820000 31.600000 -17.580000 1000.00 CINNABAR HgS Cin Hg(1)S(1) ref:1 5.May.78 -10940.0 -12750.0 19.700 28.416 10.460000 3.720000 0.000000 618.00 CLAUDETITE As2O3 clau As(2)O(3) ref:Bess 16.Jun.05 -137730.0 -156571.4 27.09 47.26 23.86 10.74 -3.44 623.15 CLINOCHLORE,14A Mg5Al(AlSi3)O10(OH)8 14A-Cnc Mg(5)Al(2)Si(3)O(18)H(8) ref:1 5.May.78 -1961703.0 -2116964.0 111.200 207.110 166.500000 42.100000 -37.470000 900.00 CLINOZOISITE Ca2Al3Si3O12(OH) Czo Ca(2)Al(3)Si(3)O(13)H(1) ref:1,19 15.Mar.90 -1549240.0 -1643781.0 70.640 136.200 106.118000 25.214000 -27.145000 700.00 COBALT Co Co Co(1) RG97 28.July.95 .0 .0 7.180 6.620 5.810000 .000000 .000000 1000.00 COPPER Cu Cu Cu(1) ref:1 5.May.78 0.0 0.0 7.923 7.113 5.410000 1.500000 0.000000 1357.00 CORDIERITE Mg2Al3(AlSi5)O18 Crd Mg(2)Al(4)Si(5)O(18) ref:1 5.May.78 -2061279.0 -2183199.0 97.330 233.220 143.830000 25.800000 -38.600000 1700.00 CORDIERITE,HYDROUS Mg2Al3(AlSi5)O18*H20 Hyd-Crd Mg(2)Al(4)Si(5)O(19)H(2) ref:1 5.May.78 -2121350.0 -2255676.0 111.430 241.220 155.230000 25.800000 -38.600000 1700.00 CORUNDUM Al2O3 Crn Al(2)O(3) ref:1 5.May.78 -374824.0 -397145.0 12.180 25.575 27.490000 2.820000 -8.380000 1800.00 COVELLITE_orig CuS Cv Cu(1)S(1) ref:1 5.May.78 -12612.0 -12500.0 15.900 20.420 10.600000 2.640000 0.000000 1273.00 COVELLITE CuS Cv Cu(1)S(1) ref:MR1 18Jul.02 -13189.0 -13043.0 16.073 20.440 10.600000 2.640000 0.000000 1273.00 CRISTOBALITE,A_old SiO2 A-Crs Si(1)O(2) ref:1 5.May.78 -203895.0 -216755.0 10.372 25.740 13.980000 3.340000 -3.810000 1000.00 CRISTOBALITE,ALPHA SiO2 A-Crs Si(1)O(2) ref:1 5.May.78/stefH4SiO4 -204249.3 -217109.0 10.372 25.740 13.980000 3.340000 -3.810000 1000.00 CRISTOBALITE,BETA SiO2 B-Crs Si(1)O(2) ref:1 5.May.78 -203290.0 -215675.0 11.963 27.380 17.390000 0.310000 -9.890000 2000.00 CUMMINGTONITE Mg7Si8O22(OH)2 Cum Mg(7)Si(8)O(24)H(2) ref:1 5.May.78 999999.0 999999.0 127.500 271.900 185.240000 58.610000 -44.660000 800.00 CUPRITE Cu2O Cpr Cu(2)O(1) ref:1 5.May.78 -35384.0 -40830.0 22.080 23.437 14.080000 5.880000 -0.760000 1515.00 DAPHNITE,14A Fe5Al(AlSi3)O10(OH)8 Dph-14A Fe(5)Al(2)Si(3)O(18)H(8) ref:1 Gf a Saccoc -1550482.0 -1695426.0 142.500 213.420 176.210000 43.760000 -33.820000 1000.00 DIASPORE AlO(OH) Dsp Al(1)O(2)H(1) ref:1 5.May.78 -218402.0 -237170.0 8.430 17.760 14.435000 4.200000 0.000000 500.00 DICKITE Al2Si2O5(OH)4 Dck Al(2)Si(2)O(9)H(4) ref:1,7 5.May.78 999999.0 999999.0 47.100 99.300 72.770000 29.200000 -21.520000 1000.00 DIOPSIDE CaMg(SiO3)2 Di Ca(1)Mg(1)Si(2)O(6) ref:1,19 15.Mar.90 -723780.0 -765378.0 34.200 66.090 52.870000 7.840000 -15.740000 1600.00 DOLOMITE CaMg(CO3)2 Dol Ca(1)Mg(1)C(2)O(6) ref:1,19 15.Mar.90 -517760.0 -556631.0 37.090 64.365 41.557000 23.952000 -9.884000 1000.00 DOLOMITE-DIS CaMg(CO3)2 Dis-Dol Ca(1)Mg(1)C(2)O(6) ref:1,19 15.Mar.90 -515653.0 -553704.0 39.840 64.390 44.711000 17.779000 -10.948000 1000.00 DOLOMITE-ORD CaMg(CO3)2 Ord-Dol Ca(1)Mg(1)C(2)O(6) ref:1,19 15.Mar.90 -517760.0 -556631.0 37.090 64.340 44.711000 17.779000 -10.948000 1000.00 EPIDOTE Ca2FeAl2Si3O12(OH) Ep Ca(2)Fe(1)Al(2)Si(3)O(13)H(1) ref:1,19 15.Mar.90 -1450906.0 -1543992.0 75.280 139.200 117.622000 12.816000 -31.864000 1100.00 EPIDOTE,ORDERED Ca2FeAl2Si3O12(OH) Ord-Ep Ca(2)Fe(1)Al(2)Si(3)O(13)H(1) ref:1,19 15.Mar.90 -1450906.0 -1544016.0 75.200 139.200 113.780000 14.690000 -28.920000 1100.00 FAYALITE Fe2SiO4 Fa Fe(2)Si(1)O(4) ref:1 5.May.78 -330233.0 -354119.0 35.450 46.390 36.510000 9.360000 -6.700000 1490.00 FERROPARGASITE Na(Ca2Fe4Al)(Al2Si6)O22(OH)2 Fe-Prg Na(1)Ca(2)Fe(4)Al(3)Si(6)O(24)H(2) ref:1 5.May.78 -2526187.0 -2686900.0 185.500 279.890 213.570000 42.990000 -47.290000 1000.00 FERROTREMOLITE (Ca2Fe5)Si8O22(OH)2 Fe-Tr Ca(2)Fe(5)Si(8)O(24)H(2) ref:1 5.May.78 -2349100.0 -2511300.0 163.500 282.800 197.930000 58.950000 -41.170000 800.00 FERROUS-OXIDE FeO Frs-Ox Fe(1)O(1) ref:1 5.May.78 -60097.0 -65020.0 14.520 12.000 12.122000 2.072000 -0.750000 1600.00 FLUORITE CaF2 Fl Ca(1)F(2) ref:1 5.May.78 -280493.0 -293000.0 16.390 24.542 14.300000 7.280000 0.470000 1424.00 FLUORPHLOGOPITE KMg3(AlSi3)O10(F)2 F-Phl K(1)Mg(3)Al(1)Si(3)O(10)F(2) ref:1,7 5.May.78 999999.0 999999.0 80.380 146.370 96.130000 26.740000 -20.410000 1000.00 FLUORTREMOLITE (Ca2Mg5)Si8O22(F)2 F-Tr Ca(2)Mg(5)Si(8)O(22)F(2) ref:1 5.May.78 999999.0 999999.0 129.400 270.450 183.740000 55.250000 -43.730000 800.00 FORSTERITE Mg2SiO4 Fo Mg(2)Si(1)O(4) ref:1 5.May.78 -491564.0 -520000.0 22.750 43.790 35.810000 6.540000 -8.520000 1800.00 GALENA PbS Gn Pb(1)S(1) ref:1 5.May.78 -23115.0 -23500.0 21.800 31.490 11.170000 2.200000 0.000000 1388.00 GEHLENITE Ca2(Al2Si)O7 Gh Ca(2)Al(2)Si(1)O(7) ref:1,19 15.Mar.90 -903148.0 -951225.0 48.100 90.240 63.740000 8.000000 -15.120000 1800.00 GIBBSITE Al(OH)3 Gbs Al(1)O(3)H(3) ref:1 5.May.78 -276168.0 -309065.0 16.750 31.956 8.650000 45.600000 0.000000 425.00 GLAUCOPHANE Na2(Mg3Al2)Si8O22(OH)2 Gln Na(2)Mg(3)Al(2)Si(8)O(24)H(2) ref:1 5.May.78 999999.0 999999.0 130.000 269.700 190.260000 59.360000 -50.010000 800.00 GOETHITE FeOOH GOE Fe(1)O(2)H(1) ref:G20 03.Oct.08 -117500. -134450. 14.27 20.88 0.2978 55.74 0.750239 375.00 GOLD Au Au Au(1) ref:1 5.May.78 0.0 0.0 11.330 10.215 5.660000 1.240000 0.000000 1336.00 GRAPHITE C Gr C(1) ref:1 5.May.78 0.0 0.0 1.372 5.298 4.030000 1.140000 -2.040000 2500.00 GREENALITE Fe3Si2O5(OH)4 Grn Fe(3)Si(2)O(9)H(4) ref:1 5.May.78 -715340.0 -644110.0 72.600 115.000 81.650000 32.600000 -15.390000 1000.00 GROSSULAR Ca3Al2Si3O12 Grs Ca(3)Al(2)Si(3)O(12) ref:1,19 15.Mar.90 -1496307.0 -1582737.0 60.870 125.300 104.017000 17.013000 -27.318000 1000.00 GRUNERITE Fe7Si8O22(OH)2 Gru Fe(7)Si(8)O(24)H(2) ref:1 5.May.78 999999.0 999999.0 163.300 256.670 198.830000 60.930000 -39.550000 800.00 HALITE NaCl Hl Na(1)Cl(1) ref:1 5.May.78 -91807.0 -98260.0 17.240 27.015 10.980000 3.900000 0.000000 1073.00 HALLOYSITE Al2Si2O5(OH)4 Hal Al(2)Si(2)O(9)H(4) ref:1,7 5.May.78 999999.0 999999.0 48.520 99.300 72.770000 29.200000 -21.520000 1000.00 HEDENBERGITE CaFe(SiO3)2 Hd Ca(1)Fe(1)Si(2)O(6) ref:1,19 5.Mar.90 -638998.0 -678276.0 40.700 68.270 54.810000 8.170000 -15.010000 1600.00 HUNTITE CaMg3(CO3)4 Hun Ca(1)Mg(3)C(4)O(12) ref:1 5.May.78 -1004710.0 -1082600.0 71.590 122.900 84.170000 42.860000 -20.440000 1000.00 HYDROMAGNESITE Mg5(OH)2(CO3)4*4H2O Hydro-Mgs Mg(5)C(4)O(18)H(10) ref:1 5.May.78 -1401687.0 -1557090.0 129.380 208.800 141.460000 65.280000 -21.670000 1000.00 JADEITE NaAl(SiO3)2 Jd Na(1)Al(1)Si(2)O(6) ref:1 5.May.78 -679445.0 -722116.0 31.900 60.400 48.160000 11.420000 -11.870000 1400.00 K-FELDSPAR K(AlSi3)O8 K-Fs K(1)Al(1)Si(3)O(8) ref:1 5.May.78 -895374.0 -949188.0 51.130 108.870 76.617000 4.311000 -29.945000 1400.00 KAOLINITE Al2Si2O5(OH)4 Kln Al(2)Si(2)O(9)H(4) ref:1 5.May.78 -905614.0 -982221.0 48.530 99.520 72.770000 29.200000 -21.520000 1000.00 KOTULSKITE PdTe Kot Pd(1)Te(1) ref:RG97 27.Jul.95 -9159.6 -8995.7 21.410 23.400 11.335000 3.088000 -.000302 900.00 KYANITE Al2SiO5 Ky Al(2)Si(1)O(5) ref:1 5.May.78 -580956.0 -616897.0 20.000 44.090 41.393132 6.816463 -12.882104 466.00 LAURITE RuS2(s) laur RU(1)S(2)(S) ref:G12 10.JUN.92 -45030.0 -47680.0 13.200 25.560 17.012000 1.618000 -1.462000 1500.00 LAUMONTITE Ca(Al2Si4)O12*4H2O lamt Ca(1)Al(2)Si(4)O(16)H(8) ref:1,19 15.Mar.90 -1596823.0 -1728664.0 116.100 207.550 123.200000 44.470000 -16.430000 1000.00 LEONHARDITE Ca2(Al4Si8)O24*7H2O Lnr Ca(2)Al(4)Si(8)O(31)H(14) ref:1 5.May.78 999999.0 999999.0 220.400 407.860 235.000000 88.940000 -32.860000 1000.00 LIME CaO Lim Ca(1)O(1) ref:1 5.May.78 -144366.0 -151790.0 9.500 16.764 11.670000 1.080000 -1.560000 2000.00 LITHARGE PbO LITHARGE Pb(1)O(1) ref:G9A 11.APR.95 -45220. -52540. 15.85 23.91 12.193 2.455 -1.7656 2000. LOELLINGITE FeAs2 loel Fe(1)As(2) ref:Bess 16.Jun.05 -12450.0 -10333.1 30.4 27.51 5.4 7.3 0.0 623.15 MAGNESITE MgCO3 Mgs Mg(1)C(1)O(3) ref:1 5.May.78 -245658.0 -265630.0 15.700 28.018 19.731000 12.539000 -4.748000 1000.00 MALACHITE Cu2(OH)2(CO3) Mal Cu(2)C(1)O(5)H(2) ref:1 5.May.78 -214204.0 -251900.0 44.500 54.860 27.760000 43.780000 -1.340000 780.00 MANGANOSITE MnO Mng Mn(1)O(1) ref:1,6 5.May.78 -86735.0 -92070.0 14.270 13.221 11.110000 1.940000 -0.880000 1800.00 MERENSKYITE PdTe2 mer Pd(1)Te(2) ref:RG97 13.Jul.95 -14463.0 -15163.0 30.240 36.160 16.870000 4.800000 -.000189 900.00 MERWINITE Ca3Mg(SiO4)2 Mer Ca(3)Mg(1)Si(2)O(8) ref:1,19 15.Mar.90 -1036526.0 -1090796.0 60.500 104.400 72.970000 11.960000 -14.440000 1700.00 METACINNABAR HgS Met-Cin Hg(1)S(1) ref:1 5.May.78 -10437.0 -11800.0 21.200 30.169 10.520000 3.630000 0.000000 1000.00 MICROCLINE,MAXIMUM K(AlSi3)O8 Max-Mc K(1)Al(1)Si(3)O(8) ref:1 5.May.78 -895374.0 -949188.0 51.130 108.741 63.830000 12.900000 -17.050000 1400.00 MILLERITE NiS Mill Ni(1)S(1) ref:RHF78 12.Feb.98 -20600.3 -20283.9 15.801 16.89 9.25 6.400096 .000000 600.00 MINNESOTAITE Fe3Si4O10(OH)2 Mnn Fe(3)Si(4)O(12)H(2) ref:1 5.May.78 999999.0 999999.0 83.500 147.860 88.310000 42.610000 -11.150000 800.00 MONCHEITE PtTe2 Mon Pt(1)Te(2) ref:RG97 27.Jul.95 -12600.0 -14000.0 28.900 45.030 16.870000 4.800000 -.000190 900.00 MOLYBDENITE MoS2 Mod Mo(1)S(2) ref:G17 5.Aug.98 -62847.9 -64961.8 14.960 32.020 17.135700 1.780000 -2.20140 1200.00 MONTICELLITE CaMgSiO4 Mtc Ca(1)Mg(1)Si(1)O(4) ref:1 5.May.78 -512829.0 -540800.0 26.400 51.470 36.820000 5.340000 -8.000000 1400.00 MONTMORILLONITE-Ca Ca.165Mg.33Al1.67Si4O12H2 Montm-Ca Ca(.165)Mg(.33)Al(1.67)Si(4)O(12)H(2) ref:Wo92 -1272340.0 -1361495.0 59.893 133.264 80.180000 39.500000 -16.650000 600.00 MONTMORILLONITE-K K.33Mg.33Al1.67Si4O12H2 Montm-K K(.33)Mg(.33)Al(1.67)Si(4)O(12)H(2) ref:Wo92 -1273300.0 -1362827.0 62.103 137.432 84.320000 40.750000 -16.530000 600.00 MONTMORILLONITE-Mg Mg.495Al1.67Si4O12H2 Montm-Mg Mg(.495)Al(1.67)Si(4)O(12)H(2) ref:Wo92 -1268590.0 -1357867.0 59.131 133.264 79.940000 39.610000 -16.630000 600.00 MONTMORILLONITE-Na Na.33Mg.33Al1.67Si4O12H2 Montm-Na Na(.33)Mg(.33)Al(1.67)Si(4)O(12)H(2) ref:Wo92 -1271210.0 -1360688.0 61.213 137.432 81.270000 40.130000 -16.870000 600.00 MONTROYDITE HgO montroy Hg(1)O(1) ref:Bess 16.Jun.05 -13998.0 -21711.6 16.8 19.32 8.33 7.37 0.0 623.15 MUSCOVITE KAl2(AlSi3)O10(OH)2 Ms K(1)Al(3)Si(3)O(12)H(2) ref:1 5.May.78 -1336301.0 -1427408.0 68.800 140.710 97.560000 26.380000 -25.440000 1000.00 NEPHELINE Na(AlSi)O4 Ne Na(1)Al(1)Si(1)O(4) ref:1 5.May.78 -472872.0 -500241.0 29.720 54.160 35.908062 6.457918 -7.327965 1500.00 NICCOLITE NiAs nicc Ni(1)As(1) ref:RG97 28.Jul.95 -16070.0 -17509.0 10.840 17.650 15.229000 1.544000 -2.054700 900.00 NONTRONITE-Ca Ca.165Fe2Al.33Si3.67O12H2 Nontr-Ca Ca(.165)Fe(2)Al(.33)Si(3.67)O(12)H(2) ref:Wo92 -1079492.0 -1165643.0 66.350 131.100 78.190000 52.930000 -13.200000 600.00 NONTRONITE-Mg Mg.165Fe2Al.33Si3.67O12H2 Nontr-Mg Mg(.165)Fe(2)Al(.33)Si(3.67)O(12)H(2) ref:Wo92 -1075647.0 -1162875.0 65.740 129.760 77.945000 53.040000 -13.190000 600.00 NONTRONITE-H H.33Fe2Al.33Si3.67O12H2 Nontr-H H(.33)Fe(2)Al(.33)Si(3.67)O(12)H(2) ref:Wo92 -1058999.0 -500000.0 66.800 132.270 77.438000 54.110000 -12.940000 600.00 NONTRONITE-K K.33Fe2Al.33Si3.67O12H2 Nontr-K K(.33)Fe(2)Al(.33)Si(3.67)O(12)H(2) ref:Wo92 -1080356.0 -1167879.0 68.570 135.270 79.319000 54.180000 -13.090000 600.00 NONTRONITE-Na Na.33Fe2Al.33Si3.67O12H2 Nontr-Na Na(.33)Fe(2)Al(.33)Si(3.67)O(12)H(2) ref:Wo92 -1078271.0 -1165747.0 67.660 132.110 79.277000 53.560000 -13.420000 600.00 ORPIMENT As2S3 orp As(2)S(3) ref:Bess 16.Jun.05 -20550.0 -20693.1 39.10 70.5 22.73 13.82 0.605 623.15 PALLADIUM Pd Pd Pd ref:G12 14.APR.92 0.0 0.0 9.040 8.861 5.730000 1.418000 -0.085000 1800.00 PARAGONITE NaAl2(AlSi3)O10(OH)2 Pg Na(1)Al(3)Si(3)O(12)H(2) ref:1 5.May.78 -1326012.0 -1416963.0 66.400 132.530 97.430000 24.500000 -26.440000 1000.00 PARGASITE Na(Ca2Mg4Al)(Al2Si6)O22(OH)2 Prg Na(1)Ca(2)Mg(4)Al(3)Si(6)O(24)H(2) ref:1,19 15.Mar.90 -2846728.0 -3016624.0 160.000 273.500 205.800000 41.660000 -50.210000 1000.00 PENTLANDITE Fe4.5Ni4.5S8 Pent Fe(4.5)Ni(4.5)S(8) ref:RG97 3.Aug.95 -196226.0 -197473.0 118.030 157.240 86.539390 33.373000 -.000244 900.00 PENTLANDITE1 Fe4.5Ni4.5S8 pent1 Fe(4.5)Ni(4.5)S(8) ref:RG97 3.Aug.95 -196226.0 -200041.0 109.410 157.240 86.539390 33.373000 -.000244 900.00 PENTLANDITE-Co Co9S8 Pec Co(9)S(8) ref:RG97 27.jul.95 -199278.0 -203301.0 112.410 157.380 86.539000 33.373000 -.000244 900.00 PENTLANDITE-FE Fe9S8 Pef Fe(9)S(8) ref:RG97 27.July.9 -218840.0 -222180.0 108.000 151.820 86.539000 33.373000 -.000244 900.00 PENTLANDITE-Fe2 Fe9S8 Pent-Fe2 Fe(9)S(8) ref:RG97 27.Jul.95 -229063.0 -222180.0 142.290 151.820 86.539000 33.373000 -.000244 900.00 PENTLANDITE-Fe3 Fe9S8 Pent-Fe3 Fe(9)S(8) ref:RG97 28.Jul.95 -218840.0 -211957.0 124.700 151.820 86.539000 33.373000 -.000244 900.00 PENTLANDITE-Ni Ni9S8 Pent-Ni Ni(9)S(8) ref:RG97 27.July.95 -172790.0 -177900.0 107.820 156.974 86.539000 33.373000 -.000244 900.00 PERICLASE MgO Per Mg(1)O(1) ref:1 5.May.78 -136086.0 -143800.0 6.440 11.248 10.180000 1.740000 -1.480000 2100.00 PHLOGOPITE KMg3(AlSi3)O10(OH)2 Phl K(1)Mg(3)Al(1)Si(3)O(12)H(2) ref:1 5.May.78 -1396187.0 -1488067.0 76.100 149.660 100.610000 28.780000 -21.500000 1000.00 PLATINUM Pt Pt Pt ref:G12 14.APR.92 0.0 0.0 9.950 9.090 5.831000 1.255000 -0.019000 2000.00 POTASSIUM-OXIDE K2O K-Ox K(2)O(1) ref:1 5.May.78 -77056.0 -86800.0 22.500 40.380 18.510000 8.650000 -0.880000 1100.00 PtTe(s) PtTe PtTe Pt(1)Te(1) ref:RG97 27.Jul.95 -9300.0 -10000.0 19.400 32.270 11.335000 3.088000 -.000302 900.00 PYRITE FeS2 Py Fe(1)S(2) ref:1 5.May.78 -38293.0 -41000.0 12.650 23.940 17.880000 1.320000 -3.050000 1000.00 PYROPHYLLITE Al2Si4O10(OH)2 Prl Al(2)Si(4)O(12)H(2) ref:1 5.May.78 -1255997.0 -1345313.0 57.200 126.600 79.432000 39.214000 -17.282000 800.00 REALGAR AsS realg As(1)S(1) ref:Bess 16.Jun.05 -7930.0 -8833.4 12.96 29.8 12.94 -0.0133 1.396 623.15 Pd(OH)2(s) Pd(OH)2(s) FakeAbbrev Pd(1)O(2)H(2)+(0) ref:G12 9.APR.92 -72000.0 -92100.0 21.700 28.380 17.750000 10.080000 -0.273000 1000.00 Pd4S(s) Pd4S Pd4S Pd(4)S(1)+(0)(s) ref:G12 9.APR.92 -16300.0 -16500.0 43.180 44.030 24.000000 11.660000 0.000000 1034.00 PdO(s) PdO(s) PdO Pd(1)O(1)+(0)(s) ref:G12 9.APR.92 -14330.0 -20400.0 13.200 14.680 10.753000 1.844000 -0.273000 1143.00 PdS(s) Vysotskite PdS(s) Pd(1)S(1)+(0)(s) ref:G12 30.MAR.95 -16000.0 -16900.0 13.500 20.650 9.970000 4.110000 -0.730000 1245.00 VYSOTSKITE PdS vys Pd(1)S(1) ref:RG97 13.Jul.95 -15938.0 -16892.0 13.490 20.980 9.965324 4.107939 -.729651 900.00 PtS(s) Cooperite PtS(s) Pt(1)S(1)(s) ref:G12 9.apr.92 -18600.0 -19900.0 13.160 22.150 9.970000 4.110000 -0.730000 1500.00 COOPERITE PtS Coop Pt(1)S(1) ref:G12 13.July.9 -18600.0 -19900.0 13.160 22.150 9.970000 4.110000 -0.730000 1500.00 PtS2(s) PtS2 PtS2 Pt(1)S(2)(s) ref:G12 9.APR.92 -24200.0 -26400.0 17.850 32.746 16.390000 3.770000 -1.570000 1500.00 RHODIUM Rh Rh Rh ref:G12 14.APR.92 0.0 0.0 7.530 8.281 5.730000 1.895000 -0.333000 1800.00 RHODOCHROSITE MnCO3 Rds Mn(1)C(1)O(3) ref:1 5.May.78 -195045.0 -212521.0 23.900 31.075 21.990000 9.300000 -4.690000 700.00 RICHTERITE Na2(CaMg5)Si8O22(OH)2 Rct Na(2)Ca(1)Mg(5)Si(8)O(24)H(2) ref:1 5.May.78 999999.0 999999.0 137.600 272.800 194.800000 61.100000 -46.150000 800.00 ROMARCHITE SnO Sn-Ox Sn(1)O(1) ref:12 5.May.78 -61459.0 -68340.0 13.660 20.895 9.550000 3.500000 0.000000 1237.00 RUTHENIUM Ru Ru Ru ref:G12 14.APR.92 0.0 0.0 6.820 8.175 5.000000 1.696000 0.223000 1400.00 RUTILE TiO2 TiO2 Ti(1)O(2) REF:7,9 31.MAR.92 -212883.0 -226101.0 12.020 18.820 15.014420 2.720501 -2.365364 1800.00 Rh2O(s) RH2O Rh2O(s) Rh(2)O(1)(s) ref:G12 9.APR.92 -19100.0 -22700.0 27.400 0.000 15.590000 6.470000 0.000000 1273.00 Rh2O3(s) Rh2O3 Rh2O3(s) Rh(2)O(3)(s) ref:G12 9.APR.92 -48300.0 -68300.0 21.530 31.370 20.740000 13.800000 0.001100 1300.00 RuO2(s) Ru(1)O(2) RuO2(s) Ru(1)O(2)(s) ref:G12 9.APR.92 -60490.0 -73420.0 12.500 19.050 16.700000 2.500000 -3.550000 1300.00 SANIDINE,HIGH K(AlSi3)O8 Hi-Sa K(1)Al(1)Si(3)O(8) ref:1 5.May.78 -893738.0 -946538.0 54.530 109.008 63.830000 12.900000 -17.050000 1400.00 SENARMONTITE Sb2O3 senar Sb(2)O(3) ref:Bess 16.Jun.05 -151400.0 -171578.9 27.37 52.21 22.53 12.03 -3.179 623.15 SEPIOLITE_old Mg4Si6O15(OH)2(H2O)2*4H2O Sep Mg(4)Si(6)O(23)H(14) ref:1 5.May.78(Stoessel thesis 77) -2211192.0 -2418000.0 146.600 285.600 157.920000 104.300000 -18.680000 800.00 SEPIOLITE Mg4Si6O15(OH)2(H2O)2*4H2O Sep Mg(4)Si(6)O(23)H(14) ref:1 Stoessell GCA 88+Stefansson H4SiO4 -2211851.0 -2418657.8 146.600 285.600 157.920000 104.300000 -18.680000 800.00 SIDERITE FeCO3 Sd Fe(1)C(1)O(3) ref:1,13 5.May.78 -162414.0 -179173.0 25.100 29.378 11.630000 26.800000 0.000000 885.00 SILLIMANITE Al2SiO5 Sil Al(2)Si(1)O(5) ref:1 5.May.78 -580091.0 -615099.0 23.130 49.900 40.023988 7.390511 -11.674053 1200.00 SILVER Ag Ag Ag(1) ref:1 5.May.78 0.0 0.0 10.170 10.272 5.090000 2.040000 0.360000 1234.00 SMITHSONITE ZnCO3 Smt Zn(1)C(1)O(3) ref:1 5.May.78 -174850.0 -194260.0 19.700 28.275 9.300000 33.000000 0.000000 780.00 SODIUM-OXIDE Na2O Na-Ox Na(2)O(1) ref:1 5.May.78 -89883.0 -99140.0 17.935 25.000 18.250000 4.890000 -2.890000 1000.00 SPERRYLITE PtAs2 Spe Pt(1)As(2) ref:RG97 25.Jul.95 -42200.0 -42200.0 27.000 29.230 .000000 .000000 .000000 900.00 SPHALERITE ZnS Sp Zn(1)S(1) ref:1 5.May.78 -47947.0 -49000.0 14.019 23.830 11.770000 1.260000 -1.160000 1300.00 SPINEL MgAl2O4 Spn Mg(1)Al(2)O(4) ref:1 5.May.78 -517006.0 -546847.0 19.270 39.710 36.772808 6.415456 -9.708792 2000.00 STAUROLITE Fe2Al9Si4O23(OH) St Fe(2)Al(9)Si(4)O(24)H(1) ref:1 5.May.78 999999.0 999999.0 117.100 224.400 207.120000 36.940000 -57.220000 1000.00 STIBNITE Sb2S3 stb Sb(2)S3 ref:Bess 16.Jun.05 -35846.0 -32886.3 43.50 73.414 28.75 3.927 -1.264 623.15 STRONTIANITE SrCO3 Str Sr(1)C(1)O(3) ref:1 5.May.78 -275470.0 -294600.0 23.200 39.010 23.520000 6.320000 -5.080000 1197.00 SYLVITE KCl Sy K(1)Cl(1) ref:1 5.May.78 -97735.0 -104370.0 19.730 37.524 9.890000 5.200000 0.770000 1043.00 TALC Mg3Si4O10(OH)2 Tcl Mg(3)Si(4)O(12)H(2) ref:1 5.May.78 -1320188.0 -1410920.0 62.340 136.250 82.482000 41.614000 -13.342000 800.00 TENORITE CuO Tn Cu(1)O(1) ref:1 5.May.78 -30568.0 -37200.0 10.180 12.220 11.530000 1.880000 -1.760000 1600.00 TITANITE CaTiSiO5 Ti-SPHENE Ca(1)Ti(1)Si(1)O(5) 7,9,19 31.MAR.92 -587349.0 -621180.0 30.880 55.650 42.234220 5.703951 -9.525038 1800.00 TREMOLITE (Ca2Mg5)Si8O22(OH)2 Tr Ca(2)Mg(5)Si(8)O(24)H(2) ref:1,19 15.Mar.90 -2770245.0 -2944038.0 131.190 272.920 188.222000 57.294000 -44.822000 800.00 URANINITE UO2 UO2 U(1)O(2) ref: G11 8.SEP.94 -246610. -259320. 18.40 24.638 15.0033 7.586 -1.83867 600.0 VALENTITE Sb2O3 valent Sb(2)O(3) ref:Bess 16.Jun.05 -149600.0 -169164.8 29.43 50.01 24.840 10.2 -3.197 623.15 PdS2 PdS2 PdS2(s) Pd(1)S(2)(s) ref:G12 30.MAR.95 -17700.0 -18700.0 21.000 34.300 16.390000 3.770000 -1.570000 1245.00 WAIRAKITE Ca(Al2Si4)O12*2H2O Wai Ca(1)Al(2)Si(4)O(14)H(4) ref:1,19 15.Mar.90 -1477432.0 -1579333.0 105.100 186.870 100.400000 44.470000 -16.430000 1000.00 WOLLASTONITE CaSiO3 Wo Ca(1)Si(1)O(3) ref:1,19 15.Mar.90 -369225.0 -389590.0 19.600 39.930 26.640000 3.600000 -6.520000 1400.00 WURTZITE ZnS Wur Zn(1)S(1) ref:1 5.May.78 -44810.0 -45850.0 14.064 23.846 11.820000 1.160000 -1.040000 1300.00 ZINCITE ZnO Znc Zn(1)O(1) ref:G9A 5.May.78 -76596.0 -83762.0 10.430 14.338 11.710000 1.220000 -2.180000 2000.00 ZOISITE Ca2Al3Si3O12(OH) Zo Ca(2)Al(3)Si(3)O(13)H(1) ref:1,19 15.Mar.90 -1549179.0 -1643691.0 70.740 135.900 106.118000 25.214000 -27.145000 700.00 ************************************************************************ minerals that undergo one phase transition ************************************************************************ ALBITE Na(AlSi3)O8 Ab Na(1)Al(1)Si(3))O(8) ref:1 5.May.78 -886308.0 -939680.0 49.510 100.250 61.700000 13.900000 -15.010000 473.00 999999.0 999999.000 999999.000 81.880000 3.554000 -50.154000 1200.00 ALBITE,HIGH NaAlSi3O8 Hi-Ab Na(1)Al(1)Si(3)O(8) ref:1 5.May.78 -884509.0 -937050.0 52.300 100.430 61.700000 13.900000 -15.010000 623.00 999999.0 999999.000 999999.000 64.170000 13.900000 -15.010000 1400.00 ALMANDINE Fe3Al2Si3O12 Alm Fe(3)Al(2)Si(3)O(12) ref:1 5.May.78 999999.0 999999.0 75.600 115.280 97.520000 33.640000 -18.730000 848.00 999999.0 999999.000 999999.000 107.090000 14.860000 -10.630000 1600.00 AMESITE,14A Mg4Al2(Al2Si2)O10(OH)8 14A-Am Mg(4)Al(4)Si(2)O(18)H(8) ref:1 5.May.78 999999.0 999999.0 108.900 205.400 172.590000 34.980000 -41.670000 848.00 999999.0 999999.000 999999.000 169.400000 41.240000 -44.370000 1000.00 ANTIGORITE Mg48Si34O85(OH)62 Atg Mg(48)Si(34)O(147)H(62) ref:1 5.May.78 -15808020.0 -17070891.0 861.360 1749.130 1228.450000 513.760000 -286.680000 848.00 999999.0 999999.000 999999.000 1234.830000 501.240000 -281.280000 1000.00 CLINOCHLORE,7A Mg5Al(AlSi3)O10(OH)8 7A-Cnc Mg(5)Al(2)Si(3)O(18)H(8) ref:1 5.May.78 -1957101.0 -2113197.0 106.500 211.500 162.820000 50.620000 -40.880000 848.00 999999.0 999999.000 999999.000 166.010000 44.360000 -38.180000 900.00 COESITE SiO2 Cos Si(1)O(2) ref:1 5.May.78 -203541.0 -216614.0 9.650 20.641 11.000000 8.200000 -2.700000 848.00 999999.0 999999.000 999999.000 14.190000 1.940000 0.000000 2000.00 CRISTOBALITE SiO2 Crs Si(1)O(2) ref:1 5.May.78 -203895.0 -216755.0 10.372 25.740 13.980000 3.340000 -3.810000 543.00 321.0 999999.000 999999.000 17.390000 0.310000 -9.890000 2000.00 DAPHNITE,7A Fe5Al(AlSi3)O10(OH)8 7A-Dph Fe(5)Al(2)Si(3)O(18)H(8) ref:1 5.May.78 999999.0 999999.0 138.900 221.200 172.530000 52.280000 -37.230000 848.00 999999.0 999999.000 999999.000 175.720000 46.020000 -34.630000 1000.00 EDENITE Na(Ca2Mg5)(AlSi7)O22(OH2) Ed Na(1)Ca(2)Mg(5)Al(1)Si(7)O(24)H(2) ref:1 5.May.78 999999.0 999999.0 161.000 271.000 199.710000 48.780000 -46.010000 848.00 999999.0 999999.000 999999.000 202.900000 42.520000 -43.310000 1000.00 EPISTILBITE Ca(Al2Si6)O16*5H2O Eps Ca(1)Al(2)Si(6)O(21)H(10) ref:1 5.May.78 999999.0 999999.0 152.900 267.560 157.040000 60.870000 -21.830000 848.00 999999.0 999999.000 999999.000 163.420000 48.350000 -16.430000 1000.00 FERROEDENITE Na(Ca2Fe5)(AlSi7)O22(OH)2 Fe-Ed Na(1)Ca(2)Fe(5)Al(1)Si(7)O(24)H(2) ref:1 5.May.78 999999.0 999999.0 193.700 280.900 209.420000 50.440000 -42.360000 848.00 999999.0 999999.000 999999.000 212.610000 44.180000 -39.660000 1000.00 FERROSILITE FeSiO3 Fs Fe(1)Si(1)O(3) ref:1,13 5.May.78 -267588.0 -285658.0 21.630 32.952 26.490000 5.070000 -5.550000 413.00 37.0 0.056 67.000 23.865000 8.780000 -4.700000 1400.00 FLUOREDENITE Na(Ca2Mg5)(AlSi7)O22(F)2 Fl-Ed Na(1)Ca(2)Mg(5)Al(1)Si(7)O(22)F(2) ref:1 5.May.78 999999.0 999999.0 146.700 272.500 195.230000 46.740000 -44.920000 848.00 999999.0 999999.000 999999.000 198.420000 40.480000 -42.220000 1000.00 HEULANDITE Ca(Al2Si7)O18*6H2O Hul Ca(1)Al(2)Si(7)O(24)H(12) ref:1 5.May.78 999999.0 999999.0 182.400 316.370 179.660000 69.070000 -24.530000 848.00 999999.0 999999.000 999999.000 189.230000 50.290000 -16.430000 1000.00 KALSILITE K(AlSi)O4 Kls K(1)Al(1)Si(1)O(4) ref:1 5.May.78 -481750.0 -509408.0 31.850 59.890 29.430000 17.360000 -5.320000 810.00 160.0 999999.000 999999.000 42.500000 0.000000 0.000000 1800.00 LAWSONITE CaAl2Si2O7(OH)2*H2O Lws Ca(1)Al(2)Si(2)O(10)H(4) ref:1,19 15.Mar.90 -1073408.0 -1158104.0 55.800 101.320 81.800000 23.360000 -16.260000 848.00 999999.0 999999.000 999999.000 84.990000 17.100000 -13.560000 1000.00 MAGNETITE Fe3O4 Mag Fe(3)O(4) ref:1 5.May.78 -242574.0 -267250.0 34.830 44.524 21.880000 48.200000 0.000000 900.00 999999.0 999999.000 999999.000 48.000000 0.000000 0.000000 1800.00 MARGARITE CaAl2(Al2Si2)O10(OH)2 Mrg Ca(1)Al(4)Si(2)O(12)H(2) ref:1,19 15.Mar.90 -1394150.0 -1485803.0 63.800 129.400 102.500000 16.350000 -28.050000 848.00 999999.0 999999.000 999999.000 99.310000 22.610000 -30.750000 1000.00 NATROLITE Na2(Al2Si3)O10*2H2O Ntr Na(2)Al(2)Si(3)O(12)H(4) ref:1 5.May.78 999999.0 999999.0 101.600 169.720 95.760000 40.080000 -15.060000 848.00 999999.0 999999.000 999999.000 92.570000 46.340000 -17.760000 1000.00 NESQUEHONITE MgCO3*3H2O Nsh Mg(1)C(1)O(6)H(6) ref:1 5.May.78 -412035.0 -472576.0 46.760 74.790 -1574.804000 3899.173000 -417.325000 306.50 184.0 999999.000 999999.000 25.246000 91.289000 -4.222000 340.00 NICKEL Ni Ni Ni(1) ref:1 5.May.78 0.0 0.0 7.140 6.588 4.060000 7.040000 0.000000 633.00 0.0 999999.000 999999.000 6.000000 1.800000 0.000000 1725.00 PHILLIPSITE,CA Ca(Al2Si5)O14*5H2O Ca-Php Ca(1)Al(2)Si(5)O(19)H(10) ref:1 5.May.78 999999.0 999999.0 166.600 265.000 145.820000 52.670000 -19.130000 848.00 999999.0 999999.000 999999.000 149.010000 46.410000 -16.430000 1000.00 PHILLIPSITE,K K2(Al2Si5)O14*5H2O K-Php K(2)Al(2)Si(5)O(19)H(10) ref:1 5.May.78 999999.0 999999.0 172.100 265.000 152.660000 60.240000 -18.450000 848.00 999999.0 999999.000 999999.000 155.850000 53.980000 -15.750000 1000.00 PHILLIPSITE,NA Na2(Al2Si5)O14*5H2O Na-Php Na(2)Al(2)Si(5)O(19)H(10) ref:1 5.May.78 999999.0 999999.0 172.400 265.000 152.400000 56.480000 -20.460000 848.00 999999.0 999999.000 999999.000 155.590000 50.220000 -17.760000 1000.00 PREHNITE Ca2Al2Si3O10(OH)2 Prh Ca(2)Al(2)Si(3)O(12)H(2) ref:1,19 15.Mar.90 -1390097.0 -1481649.0 65.000 140.330 91.600000 37.820000 -19.600000 848.00 999999.0 999999.000 999999.000 101.170000 19.040000 -11.500000 1000.00 PYROPE Mg3Al2Si3O12 Prp Mg(3)Al(2)Si(3)O(12) ref:1,7 5.May.78 999999.0 999999.0 62.300 113.270 91.690000 32.640000 -20.920000 848.00 999999.0 999999.000 999999.000 101.260000 13.860000 -12.820000 1800.00 QUARTZ SiO2 Qtz Si(1)O(2) ref:1 5.May.78 -204646.0 -217650.0 9.880 22.688 11.220000 8.200000 -2.700000 848.00 290.0 0.372 38.500 14.410000 1.940000 0.000000 2000.00 QUICKSILVER Hg Hg Hg(1) ref:1 5.May.78 0.0 0.0 18.170 14.822 6.440000 0.000000 0.190000 629.00 14140.0 999999.000 999999.000 4.970000 0.000000 0.000000 3000.00 SELENIUM Se Se Se(1) ref:G17 30.Jul.98 0.0 0.0 10.103 16.42 6.0814 1.2414 -0.41426 494.00 1472.3 999999.000 999999.000 4.5124 3.198 6.1576 957.00 SPESSARTINE Mn3Al2Si3O12 Sps Mn(3)Al(2)Si(3)O(12) ref:1 5.May.78 999999.0 999999.0 74.500 117.900 94.480000 33.240000 -19.120000 848.00 999999.0 999999.000 999999.000 104.050000 14.460000 -11.020000 1800.00 STILBITE NaCa2(Al5Si13)O36*14H2O Stb Na(1)Ca(2)Al(5)Si(13)O(50)H(28) ref:1 5.May.78 999999.0 999999.0 399.300 649.910 390.550000 137.680000 -49.840000 848.00 999999.0 999999.000 999999.000 400.120000 118.900000 -41.740000 1000.00 TIN Sn Sn Sn(1) ref:12 Aug.85 0.0 0.0 12.240 16.289 4.420000 6.300000 0.000000 505.06 1680.0 999999.000 999999.000 7.300000 0.000000 0.000000 3000.00 ************************************************************************ minerals that undergo two phase transitions ************************************************************************ ACANTHITE Ag2S Acn Ag(2)S(1) ref:1 5.May.78 -9446.0 -7550.0 34.300 34.200 15.630000 8.600000 0.000000 450.00 950.0 999999.000 999999.000 1.819000 53.000000 0.000000 620.00 600.0 999999.000 999999.000 21.600000 0.000000 0.000000 1000.00 AEGERINE NaFe(SiO3)2 Agt Na(1)Fe(1)Si(2)O(6) ref:1 5.May.78 999999.0 999999.0 36.700 64.370 46.160000 19.310000 -9.460000 950.00 999999.0 999999.000 999999.000 52.420000 10.010000 -7.680000 1050.00 999999.0 999999.000 999999.000 50.270000 10.890000 -7.680000 1400.00 ANTHOPHYLLITE Mg7Si8O22(OH)2 Ath Mg(7)Si(8)O(24)H(2) ref:1 5.May.78 -2715430.0 -2888749.0 128.600 264.400 180.682000 60.574000 -38.462000 903.00 999999.0 999999.000 999999.000 197.542000 41.614000 -13.342000 1258.00 999999.0 999999.000 999999.000 199.522000 41.614000 -13.342000 1800.00 BORNITE_orig Cu5FeS4 Bn Cu(5)Fe(1)S(4) ref:1,16 5.May.78 -86704.0 -79922.0 99.290 98.600 49.760000 35.080000 -1.350000 485.00 1430.0 999999.000 999999.000 -34.310000 247.000000 0.000000 540.00 0.0 999999.000 999999.000 80.330000 -2.040000 0.000000 1200.00 BORNITE Cu5FeS4 Bn Cu(5)Fe(1)S(4) ref:MR1 18Jul.02 -94324.0 -88815.0 95.244 98.720 49.760000 35.080000 -1.350000 485.00 1430.0 999999.000 999999.000 -34.310000 247.000000 0.000000 540.00 0.0 999999.000 999999.000 80.330000 -2.040000 0.000000 1200.00 BUNSENITE NiO Bsn Ni(1)O(1) ref:1 5.May.78 -50573.0 -57300.0 9.080 10.970 -4.990000 37.580000 3.890000 525.00 0.0 999999.000 999999.000 13.880000 0.000000 0.000000 565.00 0.0 999999.000 999999.000 11.180000 2.020000 0.000000 2000.00 CHALCOCITE_orig Cu2S Cc Cu(2)S(1) ref:1 5.May.78 -20626.0 -19000.0 28.900 27.480 12.630000 18.820000 0.000000 376.00 920.0 999999.000 999999.000 26.780000 -7.350000 0.000000 717.00 287.0 999999.000 999999.000 20.320000 0.000000 0.000000 1400.00 CHALCOCITE Cu2S Cc Cu(2)S(1) ref:RSH94(MR1) 18Jul.02 -21318.0 -20043.0 27.777 27.490 12.630000 18.820000 0.000000 376.00 920.0 999999.000 999999.000 26.780000 -7.350000 0.000000 717.00 287.0 999999.000 999999.000 20.320000 0.000000 0.000000 1400.00 CHALCOPYRITE CuFeS2 cp Cu(1)Fe(1)S(2) ref:1,16 5.May.78 -44900.0 -44453.0 31.150 42.830 20.790000 12.800000 -1.340000 830.00 2405.0 999999.000 999999.000 -141.400000 210.000000 0.000000 930.00 0.0 999999.000 999999.000 41.220000 0.000000 0.000000 1200.00 CHALCOPYRITE_New CuFeS2 Cp_too_stable? Cu(1)Fe(1)S(2) ref:RSH94(MR1) 18Jul.02 -46616.0 -46589.0 29.852 43.920 20.790000 12.800000 -1.340000 830.00 2405.0 999999.000 999999.000 -141.400000 210.000000 0.000000 930.00 0.0 999999.000 999999.000 41.220000 0.000000 0.000000 1200.00 CRONSTEDTITE,7A Fe2Fe(FeSi)O5(OH)4 7A-Csd Fe(4)Si(1)O(9)H(4) ref:1 5.May.78 999999.0 999999.0 73.500 110.900 84.790000 41.840000 -12.476000 950.00 999999.0 999999.000 999999.000 97.300000 23.240000 -8.930000 1050.00 999999.0 999999.000 999999.000 93.010000 25.000000 -8.930000 1500.00 ENSTATITE MgSiO3 En Mg(1)Si(1)O(3) ref:1 5.May.78 -348930.0 -369686.0 16.200 31.276 24.550000 4.740000 -6.280000 903.00 166.0 0.020 384.615 28.765000 0.000000 0.000000 1258.00 390.0 1.090 11.900 29.260000 0.000000 0.000000 1800.00 FERROGEDRITE (Fe5Al2)(Al2Si6)O22(OH)2 Fe-Ged Fe(5)Al(4)Si(6)O(24)H(2) ref:1 5.May.78 999999.0 999999.0 153.500 265.900 196.270000 58.390000 -39.010000 903.00 999999.0 999999.000 999999.000 204.700000 48.910000 -26.450000 1258.00 999999.0 999999.000 999999.000 205.690000 48.910000 -26.450000 1500.00 HASTINGSITE Na(Ca2Fe4Fe)(Al2Si6)O22(OH)2 Hs Na(1)Ca(2)Fe(5)Al(2)Si(6)O(24)H(2) ref:1 5.May.78 999999.0 999999.0 189.200 280.300 211.570000 50.880000 -44.880000 950.00 999999.0 999999.000 999999.000 217.820000 41.580000 -43.100000 1050.00 999999.0 999999.000 999999.000 215.680000 42.460000 -43.100000 1500.00 HEMATITE Fe2O3 Hem Fe(2)O(3) ref:1 5.May.78 -178155.0 -197720.0 20.940 30.274 23.490000 18.600000 -3.550000 950.00 160.0 999999.000 999999.000 36.000000 0.000000 0.000000 1050.00 0.0 999999.000 999999.000 31.710000 1.760000 0.000000 1800.00 LARNITE Ca2SiO4 Lrn Ca(2)Si(1)O(4) ref:1,8 5.May.78 999999.0 999999.0 30.500 51.600 34.870000 9.740000 -6.260000 970.00 440.0 999999.000 999999.000 32.160000 11.020000 0.000000 1710.00 3390.0 999999.000 999999.000 49.000000 0.000000 0.000000 2000.00 MAGNESIOHASTINGSITE Na(Ca2Mg4Fe)(Al2Si6)O22(OH)2 Mg-Hs Na(1)Ca(2)Mg(4)Fe(1)Al(2)Si(6)O(24)H(2) ref:1 5.May.78 999999.0 999999.0 163.800 273.800 203.800000 49.550000 -47.800000 950.00 999999.0 999999.000 999999.000 210.060000 40.250000 -46.020000 1050.00 999999.0 999999.000 999999.000 207.910000 41.130000 -46.020000 1500.00 MAGNESIORIEBECKITE Na2(Mg3Fe2)Si8O22(OH)2 Mg-Rbk Na(2)Mg(3)Fe(2)Si(8)O(24)H(2) ref:1 5.May.78 999999.0 999999.0 138.000 271.300 186.260000 75.140000 -45.180000 950.00 999999.0 999999.000 999999.000 198.770000 56.540000 -41.630000 1050.00 999999.0 999999.000 999999.000 194.480000 58.300000 -41.630000 1500.00 PYRRHOTITE FeS Po Fe(1)S(1) ref:1 5.May.78 -24084.0 -24000.0 14.410 18.200 5.190000 26.400000 0.000000 411.00 570.0 999999.000 999999.000 17.400000 0.000000 0.000000 598.00 120.0 999999.000 999999.000 12.200000 2.380000 0.000000 1468.00 RIEBECKITE Na2(Fe3Fe2)Si8O22(OH)2 Rbk Na(2)Fe(5)Si(8)O(24)H(2) ref:1 5.May.78 999999.0 999999.0 156.600 274.900 192.090000 76.140000 -42.990000 950.00 999999.0 999999.000 999999.000 204.600000 57.540000 -39.440000 1050.00 999999.0 999999.000 999999.000 200.310000 59.300000 -39.440000 1500.00 SULFUR S Sul S(1) ref:G13A 12.JUN.98 0.0 0.0 7.6 15.61 3.58 6.24 0.0 368.6 85.0 999999.000 999999.000 6.20 0.0 0.0 392. 335.0 999999.000 999999.000 8.73 0.0 0.0 717.8 ************************************************************************ minerals that undergo three phase transitions ************************************************************************ IRON Fe Fe Fe(1) ref:7,8 5.May.78 0.0 0.0 6.520 7.092 3.040000 7.580000 0.600000 1033.00 326.0 999999.000 999999.000 11.130000 0.000000 0.000000 1183.00 215.0 999999.000 999999.000 5.800000 1.980000 0.000000 1673.00 165.0 999999.000 999999.000 6.740000 1.600000 0.000000 1812.00 PD-OXYANNITE KFe3(AlSi3)O10(OH)O- Pd-Oxn K(1)Fe(3)Al(1)Si(3)O(12)H(1) ref:1 5.May.78 999999.0 999999.0 68.500 143.200 88.340000 54.120000 -18.060000 848.00 999999.0 999999.000 999999.000 97.910000 35.340000 -9.960000 950.00 999999.0 999999.000 999999.000 116.680000 7.440000 -4.630000 1050.00 999999.0 999999.000 999999.000 110.240000 10.080000 -4.630000 1100.00 ************************************************************************ gases ************************************************************************ Ar,g ARGON Ar(g) Ar(1) ref:6,8 27.Dec.89 0.0 0.0 37.008 0.000 4.968000 0.000000 0.000000 8000.00 CH4,g METHANE CH4(g) C(1)H(4) ref:6,8 15.Dec.87 -12122.4 -17880.0 44.518 0.000 5.650000 11.440000 -0.460000 1500.00 PHENOL,g PHENOL C6H6O(g) C(6)H(6)O(1) ref:G10 20.Nov.97 -7860. -23030. 75.4 0.000 30.424 27.016 -12.431 1000.00 ORTHO-CRESOL,g ORTHO-CRESOL C7H8O(g) C(7)H(8)O(1) ref:G10 20.Nov.97 -8860. -30740. 85.5 0.000 33.455 37.071 -12.088 1000.00 META-CRESOL,g META-CRESOL C7H8O(g) C(7)H(8)O(1) ref:G10 20.Nov.97 -9690. -31630. 85.3 0.000 33.367 37.017 -13.472 1000.00 PARA-CRESOL,g PARA-CRESOL C7H8O(g) C(7)H(8)O(1) ref:G10 20.Nov.97 -7380. -29970. 83.2 0.000 32.661 37.582 -12.782 1000.00 CO,g CARBON-MONOXIDE CO(g) C(1)O(1) ref:G2 18.Mar.93 -32784. -26416. 47.245 0.000 6.790000 0.980000 -0.110000 5000.00 CO2,g CARBON-DIOXIDE CO2(g) C(1)O(2) ref:6,8 27.Dec.89 -94254.0 -94051.0 51.085 0.000 10.570000 2.100000 -2.060000 2500.00 ETHYLENE,g C2H4 C2H4(g) C(2)H(4) ref:G2 22.SEP.93 16280.0 12500.0 52.450 0.000 8.3500 0.150000 -2.29000 1000.00 H2,g HYDROGEN H2(g) H(2) ref:6,8 27.Dec.89 0.0 0.0 31.234 0.000 6.520000 0.780000 0.120000 3000.00 H2O,g STEAM H2O(g) H(2)O ref:17 24.Mar.90 -54524.8 -57935.1 44.763 0.000 12.664700 -10.404100 0.013078 2523.15 H2S,g HYDROGEN-SULFIDE H2S(g) H(2)S(1) ref:6,8 27.Dec.89 -8021.0 -4931.0 49.185 0.000 7.810000 2.960000 -0.460000 2300.00 He,g HELIUM He(g) He(1) ref:6,8 27.Dec.89 0.0 0.0 30.151 0.000 4.968000 0.000000 0.000000 8000.00 Kr,g KRYPTON Kr(g) Kr(1) ref:6,8 27.Dec.89 0.0 0.0 39.217 0.000 4.968000 0.000000 0.000000 8000.00 N2,g NITROGEN N2(g) N(2) ref:6,8 27.Dec.89 0.0 0.0 45.796 0.000 6.830000 0.900000 -0.120000 3000.00 Ne,g NEON Ne(g) Ne(1) ref:6,8 27.Dec.89 0.0 0.0 34.973 0.000 4.968000 0.000000 0.000000 8000.00 NH3,g AMMONIA NH3(g) N(1)H(3) ref:6,8 26.Jul.89 -3932.0 -11021.0 46.000 0.000 7.110000 6.000000 -0.370000 1800.00 O2,g OXYGEN O2(g) o(2) ref:6,8 27.Dec.89 0.0 0.0 49.029 0.000 7.160000 1.000000 -0.400000 3000.00 Rn,g RADON Rn(g) Rn(1) ref:6,8 27.Dec.89 0.0 0.0 42.120 0.000 4.968000 0.000000 0.000000 3000.00 S2,g SULFUR S2(g) S(2) ref:6,8 27.Dec.89 18953.0 30681.0 54.540 0.000 8.720000 0.160000 -0.900000 3000.00 SO2,g SULFUR-DIOXIDE SO2(g) S(1)O(2) ref:6,8 27.Dec.89 -71748.0 -70944.0 59.330 0.000 11.040000 1.880000 -1.840000 2000.00 Xe,g XENON Xe(g) Xe(1) ref:6,8 27.Dec.89 0.0 0.0 40.555 0.000 4.968000 0.000000 0.000000 8000.00 NO,g Nitric NO(g) N(1)O(1) ref:G17 11.Nov.00 20690.0 21570.0 50.373 0.000 6.2954 1.8362 0.24878 1000.00 N2O,g Nitrous N2O(g) N(2)O(1) ref:G17 11.Nov.00 24900.0 19610.0 52.545 0.000 9.8334 3.5123 -1.4916 1000.00 ************************************************************************ aqueous species ************************************************************************ 1-BUTANAMINE,AQ C4H9NH2 1-BUAM(AQ) C(4)H(11)N(1)+(0) ref:4 4.Sep.87 9410. -36110. 47.200 13.9266 19.7205 11.9476 -3.5941 91.9109 2.7736 -0.3748 0. 1-BUTANOL,AQ C4H9OH l-BUOL(AQ) C(4)H(10)O(1)+(0) ref:4 2.Sep.87 -38840. -80320. 46.900 13.4902 17.9400 14.1816 -3.5205 94.8858 3.0034 -0.3702 0. 1-BUTENE,AQ C4H8 l-BUTE(AQ) C(4)H(8)+(0) ref:4 4.Sep.87 20310. -5635. 43.400 12.0932 21.7476 -2.7991 -3.6779 61.5894 18.3335 -0.6572 0. 1-BUTYNE,AQ C4H6 l-BUTY(AQ) C(4)H(6)+(0) ref:4 4.Sep.87 50030. 33400. 43.400 12.6132 23.0185 -3.3011 -3.7305 56.0218 16.3984 -0.6572 0. 1-HEPTANAMINE,AQ C7H15NH2 1-HPAM(AQ) C(7)H(17)N(1)+(0) ref:4 4.Sep.87 16910. -51990. 66.900 20.3667 32.5921 13.0098 -4.1263 142.4729 6.9513 -0.6731 0. 1-HEPTANOL,AQ C7H15OH l-HPOL(AQ) C(7)H(16)O(1)+(0) ref:4A 2.Jun.98 -34095. -97270. 72.100 19.7695 31.3977 12.9129 -4.0769 151.5815 7.7219 -0.7519 0. 1-HEPTENE,AQ C7H14 l-HEPTE(AQ) C(7)H(14)+(0) ref:4 4.Sep.87 26450. -22670. 63.500 18.4766 37.3342 -8.9260 -4.3223 96.0586 31.2889 -0.9616 0. 1-HEPTYNE,AQ C7H12 l-HEPTY(AQ) C(7)H(12)+(0) ref:4 4.Sep.87 56730. 16980. 63.700 18.9956 38.6015 -9.4245 -4.3747 90.4632 29.3537 -0.9647 0. 1-HEXANAMINE,AQ C6H13NH2 1-HXAM(AQ) C(6)H(15)N(1)+(0) ref:4 4.Sep.87 14860. -46320. 60.200 18.2115 28.2822 12.6611 -3.9481 127.1903 5.6804 -0.5717 0. 1-HEXANOL,AQ C6H13OH l-HXOL(AQ) C(6)H(14)O(1)+(0) ref:4A 2.Jun.98 -37060. -92690. 64.800 17.7843 27.4289 12.5890 -3.9128 126.8936 5.7074 -0.6413 0. 1-HEXENE,AQ C6H12 l-HEXE(AQ) C(6)H(12)+(0) ref:4 4.Sep.87 24370. -17025. 56.800 16.3488 32.1387 -6.8838 -4.1075 84.5689 26.9704 -0.8602 0. 1-HEXYNE,AQ C6H10 l-HEXY(AQ) C(6)H(10)+(0) ref:4 4.Sep.87 54420. 22340. 56.800 16.8688 33.4096 -7.3857 -4.1601 79.0012 25.0353 -0.8602 0. 1-OCTANAMINE,AQ C8H17NH2 1-OCAM(AQ) C(8)H(19)N(1)+(0) ref:4 4.Sep.87 18960. -57660. 73.600 22.4671 36.7896 13.3574 -4.2998 159.8259 8.3844 -0.7746 0. 1-OCTANOL,AQ C8H17OH l-OCOL(AQ) C(8)H(18)O(1)+(0) ref:4 2.Sep.87 -30250. -103060. 72.300 21.9264 35.7093 13.2670 -4.2551 169.4962 9.1280 -0.7549 0. 1-OCTENE,AQ C8H16 l-OCTE(AQ) C(8)H(16)+(0) ref:4 4.Sep.87 28720. -28120. 70.200 20.6044 42.5297 -10.9682 -4.5371 107.5483 35.6073 -1.0631 0. 1-OCTYNE,AQ C8H14 l-OCTY(AQ) C(8)H(14)+(0) ref:4 4.Sep.87 58860. 11330. 70.200 21.1244 43.8006 -11.4705 -4.5896 101.9808 33.6721 -1.0631 0. 1-PENTANAMINE,AQ C5H11NH2 l-PEAM(AQ) C(5)H(13)N(1)+(0) ref:4 1.OCT.87 12800. -40650. 53.500 16.0701 24.0048 12.3010 -3.7713 110.0099 4.2608 -0.4702 0. 1-PENTANOL,AQ C5H11OH l-PEOL(AQ) C(5)H(12)O(1)+(0) ref:4 2.Sep.87 -38470. -87730. 53.400 15.6573 22.6230 13.6464 -3.7141 111.9216 4.4095 -0.4687 0. 1-PENTENE,AQ C5H10 l-PENTE(AQ) C(5)H(10)+(0) ref:4 4.Sep.87 22470. -11200. 50.100 14.2210 26.9431 -4.8413 -3.8927 73.0791 22.6520 -0.7587 0. 1-PENTYNE,AQ C5H8 l-PENTY(AQ) C(5)H(8)+(0) ref:4 4.Sep.87 52160. 27800. 50.100 14.7410 28.2140 -5.3433 -3.9453 67.5117 20.7168 -0.7587 0. 1-PROPANAMINE,AQ C3H7NH2 1-PRAM(AQ) C(3)H(9)N(1)+(0) ref:4 4.Sep.87 7010. -30680. 40.800 11.8178 15.5013 11.6113 -3.4197 72.9633 1.2188 -0.2779 0. 1-PROPANOL,AQ C3H7OH l-PROL(aq) C(3)H(8)O(1)+(0) ref:G18 04.Oct.00 -41130. -74750. 40.8 14.58 9.08 12.19 -5.50 74.33 3.35 -0.20 0. 1-PROPENE,AQ C3H6 l-PROP(AQ) C(3)H(6)+(0) ref:4 4.Sep.87 17910. -290. 36.700 9.9655 16.5518 -0.7564 -3.4632 50.0997 14.0151 -0.5558 0. 1-PROPYNE,AQ C3H4 l-PRPY(AQ) C(3)H(4)+(0) ref:4 4.Sep.87 47880. 38970. 36.700 10.4855 17.8227 -1.2588 -3.5157 44.5321 12.0799 -0.5558 0. 2-BUTANONE,AQ C4H8O 2-BUON(AQ) C(4)H(8)O(1)+(0) ref:4 2.Sep.87 -36730. -67880. 50.300 12.9145 17.6967 11.7839 -3.5105 73.7083 1.3810 -0.4217 0. 2-HEPTANONE,AQ C7H14O 2-HPON(AQ) C(7)H(14)O(1)+(0) ref:4 2.Sep.87 -30430. -84890. 70.100 19.2419 30.3392 12.8366 -4.0331 125.8091 5.6804 -0.7216 0. 2-HEXANONE,AQ C6H12O 2-HXON(AQ) C(6)H(12)O(1)+(0) ref:4 2.Sep.87 -32480. -79220. 63.400 17.1141 26.0886 12.4806 -3.8574 108.4560 4.2473 -0.6201 0. 2-HYDROXYBUTANOATE C4H7O3- 2hybu8 C(4)H(7)O(3)-(1) ref:G6 17.JUN.92 -120550. -169810. 38.600 11.9172 20.2720 0.0242 -3.6169 64.6903 -3.5254 1.0449 -1. 2-HYDROXYBUTANOIC C4H8O3 2hybuac C(4)H(8)O(3)+(0) ref:G6 16.JUN.92 -125750. -169670. 56.500 13.3861 22.2951 2.5821 -3.7006 78.3729 3.7235 -0.2128 0. 2-HYDROXYDECANOATE C10H19O3- 2hydec8 C(10)H(19)O(3)-(1) ref:G6 16.JUN.92 -108380. -203930. 78.800 24.6277 49.0925 -6.5525 -4.8084 183.1446 -1.9837 0.4356 -1. 2-HYDROXYDECANOIC C10H20O3 2hydecac C(10)H(20)O(3)+(0) ref:G6 16.JUN.92 -113480. -203690. 96.700 26.3459 52.9848 -7.4315 -4.9693 182.4900 16.2909 0.0537 0. 2-HYDROXYHEPTANOATE C7H13O3- 2hyhep8 C(7)H(13)O(3)-(1) ref:G6 16.JUN.92 -114500. -186900. 58.700 18.2444 34.6247 -3.2651 -4.2103 123.9167 -2.7545 0.7402 -1. 2-HYDROXYHEPTANOIC C7H14O3 2hyhepac C(7)H(14)O(3)+(0) ref:G6 17.JUN.92 -119600. -186680. 76.600 19.8147 38.1868 -4.0817 -4.3375 130.4315 10.0072 -0.0795 0. 2-HYDROXYHEXANOATE C6H11O3- 2hyhex8 C(6)H(11)O(3)-(1) ref:G6 16.JUN.92 -116550. -181240. 52.000 16.1891 30.4279 -3.3776 -4.0368 104.1738 -3.0115 0.8417 -1. 2-HYDROXYHEXANOIC C6H12O3 2hyhexac C(6)H(12)O(3)+(0) ref:G6 16.JUN.92 -121650. -181010. 69.900 17.7690 33.3994 -2.6456 -4.1596 113.0787 7.9126 -0.1240 0. 2-HYDROXYNONANOATE C9H17O3- 2hynon8 C(9)H(17)O(3)-(1) ref:G6 16.JUN.92 -110420. -198250. 72.100 22.4999 44.2700 -5.4567 -4.6090 163.4021 -2.2406 0.5372 -1. 2-HYDROXYNONANOIC C9H18O3 2hynonac C(9)H(18)O(3)+(0) ref:G6 16.JUN.92 -115520. -198020. 90.000 24.1688 48.0543 -6.3200 -4.7655 165.1372 14.1963 0.0093 0. 2-HYDROXYOCTANOATE C8H15O3- 2hyoct8 C(8)H(15)O(3)-(1) ref:G6 16.JUN.92 -112450. -192570. 65.400 20.3721 39.4474 -4.3607 -4.4097 143.6592 -2.4976 0.6387 -1. 2-HYDROXYOCTANOIC C8H16O3 2hyoctac C(8)H(16)O(3)+(0) ref:G6 16.JUN.92 -117550. -192350. 83.300 21.9918 43.1173 -5.1928 -4.5614 147.7843 12.1018 -0.0351 0. 2-HYDROXYPENTANOATE C5H9O3- 2hypen8 C(5)H(9)O(3)-(1) ref:G6 17.JUN.92 -118800. -175770. 45.300 13.9490 24.1569 0.8050 -3.7775 84.4263 -3.2684 0.9427 -1. 2-HYDROXYPENTANOIC C5H10O3 2hypenac C(5)H(10)O(3)+(0) ref:G6 16.JUN.92 -123700. -175340. 63.200 15.4564 27.0371 1.3904 -3.8966 95.7257 5.8181 -0.1684 0. 2-OCTANONE,AQ C8H16O 2-OCON(AQ) C(8)H(16)O(1)+(0) ref:4 2.Sep.87 -28380. -90560. 76.800 21.3697 34.5960 13.1769 -4.2091 143.1620 7.1135 -0.8231 0. 2-PENTANONE,AQ C5H10O 2-PEON(AQ) C(5)H(10)O(1)+(0) ref:4 2.Sep.87 -34390. -73460. 56.300 15.0021 21.8653 12.1372 -3.6828 91.1588 2.8142 -0.5126 0. A-AMINOBUTYRIC,AQ C4H9NO2 ABA(AQ) C(4)H(9)O(2)N(1)+(0) ref:4 4.Sep.87 -87120. -138180. 46.700 12.1092 16.0862 11.6529 -3.4439 50.6605 -0.4643 -0.3672 0. ACETAMIDE,AQ CH3CONH2 ACAMID C(2)H(5)O(1)N(1)+(0) REF:G2 18.MAR.93 -50860. -77290. 39.500 0.92939 14.3387 1.3439 -3.3717 37.6126 -1.1867 -0.3255 0. ACETATE,AQ C2H3O2- ACE- C(2)H(3)O(2)-(1) REF:G6 28.FEB.92 -88270. -116160. 20.600 7.7525 8.6996 7.5825 -3.1385 26.3000 -3.8600 1.3182 -1. ACETIC-ACID,AQ C2H4O2 ACAC(AQ) C(2)H(4)O(2)+(0) REF:G6 6.MAR.92 -94760. -116100. 42.700 11.6198 5.2180 2.5088 -2.9946 42.0760 -1.5417 -0.1500 0. ACETONE,AQ C3H6O ACON(AQ) C(3)H(6)O(1)+(0) ref:4 2.Sep.87 -38500. -61720. 44.400 10.8100 13.4912 11.4350 -3.3366 54.9496 -0.1534 -0.3324 0. ADIPATE,AQ C6H8O4-2 adi-2 C(6)H(8)O(4)-(2) REF:G6 16.JUN.92 -159390. -227780. 32.900 14.7868 26.7894 -1.4877 -3.8864 10.2229 -4.3931 2.7131 -2. ADIPIC-ACID,AQ C6H10O4 ADIAC C(6)H(10)O(4)+(0) REF:G6A 2.Jun.98 -172790. -229750. 81.300 17.5058 32.9525 -2.8895 -4.1412 73.6536 2.9529 -0.0484 0. ALANINE,AQ C3H7NO2 ALA(AQ) C(3)H(7)O(2)N(1)+(0) ref:PC1 28.Nov.06 -88810. -132500. 38.83 14.90 1.74 7.16 -3.69 49.5 -7.00 0.18 0. ALANATE,AQ C3H6NO2 ALAN- C(3)H(6)O(2)N(1)-(1) REF:G7 JUN.93 -74660. -120910. 30.250 10.6281 17.3648 0.6505 -3.4968 12.6850 -4.1859 1.1700 -1. Ar,AQ Ar(0) Ar(aq) Ar(1)+(0) ref:G18 04.Oct.00 3890. -2880. 14.3 11.71 -2.39 -44.93 1.91 27.96 9.56 -0.46 0. ARGININE,AQ C6H14N4O2 ARG(AQ) C(6)H(14)O(2)N(4)+(0) ref:PC1 28.Nov.06 -57360. -143060. 80.06 28.83 8.21 7.20 -5.95 94.8 -12.50 0.22 0. ARGININE+,AQ C6H15N4O2+ ARG+(AQ) C(6)H(15)O(2)N(4)+(1) ref:PC1 28.Nov.06 -69930. -154880. 82.57 31.72 0.22 5.46 -5.15 103.8 -9.60 0.73 1. ARGININE-,AQ C6H13N4O2- ARG-(AQ) C(6)H(13)O(2)N(4)-(1) ref:PC1 28.Nov.06 -40340. -129420. 68.72 31.28 13.76 32.12 -9.94 141.9 -19.60 2.30 -1. ASPARAGINE,AQ C4H8N2O3 ASN(AQ) C(4)H(8)O(3)N(2)+(0) ref:PC1 28.Nov.06 -125490. -182700. 57.88 19.83 2.37 3.76 -4.81 56.5 -11.70 0.21 0. ASPARTIC-ACID,AQ C4H7NO4 ASP(AQ) C(4)H(7)O(4)N(1)+(0) ref:PC1 28.Nov.06 -172510. -226340. 55.22 18.96 3.05 -6.62 -2.23 58.1 -11.90 0.17 0. ASPARTATE,AQ C4H7NO4 ASP-(AQ) C(4)H(6)O(4)N(1)-(1) ref:PC1 28.Nov.06 -167170. -224540. 43.34 16.96 5.77 10.11 -6.37 56.3 -15.30 2.47 -1. AZELAIC-ACID,AQ C9H16O4 AZEAC C(9)H(16)O(4)+(0) REF:G6 16.JUN.92 -163660. -240700. 101.600 23.9348 47.5253 -6.2031 -4.7436 125.8045 9.2464 0.0862 0. AZELATE,AQ C9H14O4-2 aze-2 C(9)H(14)O(4)-(2) REF:G6 16.JUN.92 -150130. -241660. 53.000 21.1627 41.2392 -4.7685 -4.4837 69.5701 -3.6211 2.4110 -2. Ag(CO3)- Ag(CO3)(-) Ag(CO3)- Ag(1)C(1)O(3)-(1) ref:5 29.Sep.97 -111430. -142490. 0. 2.2588 -2.2632 6.6326 -2.6854 15.2147 -5.1123 1.631 -1. Ag(CO3)2-3 Ag(CO3)2(-3) Ag(CO3)2-3 Ag(1)C(2)O(6)-(3) ref:5 29.Sep.97 -236890. -304200. -19. 3.7128 1.2872 5.2371 -2.8322 36.5589 -8.7993 5.0992 -3. Ag+ Ag(+) Ag+ Ag(1)+(1) ref:G9 07.Nov.97 18427. 25275. 17.54 1.7285 -3.5608 7.1496 -2.6318 12.7862 -1.4254 0.2160 1. Ag+2 Ag(+2) Ag+2 Ag(1)+(2) ref:2 16.Feb.88 64300. 64200. -21.000 -0.4299 -8.8310 9.2210 -2.4139 15.2224 -4.1142 1.3201 2. AgCl,AQ AgCl(0) AgCl(AQ) Ag(1)Cl(1)+(0) ref:5 16.Sep.97 -17450. -18270. 34.1 5.2088 4.9399 3.8015 -2.9832 9.8168 -1.6698 -0.03 0. AgCl2- AgCl2(-) AgCl2- Ag(1)Cl(2)-(1) ref:5 16.Sept.97 -51560. -61130. 47. 9.5149 15.4544 -0.3312 -3.4178 19.185 -1.4457 0.9169 -1. AgCl3-2 AgCl3(-2) AgCl3-2 Ag(1)Cl(3)-(2) ref:5 2.Oct.97 -82710. -105613. 44.5 14.504 27.6363 -5.1192 -3.9214 35.8339 -0.857 2.5402 -2. AgCl4-3 AgCl4(-3) AgCl4-3 Ag(1)Cl(4)-(3) ref:5 2.Oct.97 -112280. -150616. 35. 20.0386 41.1504 -10.4309 -4.4801 55.0238 0.243 4.2796 -3. AgOH,AQ_orig AgOH(0) AgOH(AQ) Ag(1)O(1)H(1)+(0) ref:G9 14.Nov.97 -21900. -31800. 17.2 2.2885 -2.1912 6.6063 -2.6883 -0.3221 -5.1937 -0.0300 0. Ag(OH),AQ Ag(OH)(0) Ag(OH)(aq) Ag(1)O(1)H(1)+(0) ref:Bess 16.Jun.05 -21782.0 -18801.2 11.27 2.2817 -2.21 6.6266 -2.6876 -10.6358 -8.7796 -0.038 0. AgO- AgO(-1) AgO- Ag(1)O(1)-(1) ref:G9 14.Nov.97 -5500. -16300. 13.9 1.4640 -4.1994 7.3839 -2.6053 0.8786 -9.4103 1.4171 -1. AgNO3,AQ AgNO3(0) AgNO3(AQ) Ag(1)N(1)O(3)+(0) ref:5 2.Oct.97 -7738. -23320. 49. 6.766 8.7423 2.3069 -3.1404 24.1485 3.3372 -0.038 0. Al(OH)+2_dupl Al(OH)(+2) Al(OH)+2 Al(1)O(1)H(1)+(2) ref:G9 3.jun.93 -165475. -183300. -44.200 2.0469 -2.7813 6.8375 -2.6639 29.7922 -0.3457 1.7247 2. Al+3 Al(+3) Al+3 Al(1)+(3) ref:TS01 31.Nov.19 -116510.0 -128769.0 -81.203 -3.3984 -16.0789 12.0699 -2.1143 14.4295 -8.8523 2.7403 3. Al+3_G9 Al(+3) Al+3 Al(1)+(3) ref:G9 07.Nov.97 -115609. -126834. -77.7 -3.3802 -17.0071 14.5185 -2.0758 10.7 -8.06 2.7530 3. AlO+ AlO(+1) AlO+ Al(1)O(1)+(1) ref:G9 13.Nov.97 -158188. -170900. -27. 2.1705 -2.4811 6.7241 -2.6763 -2.5983 -9.1455 0.9570 1. AlOH+2 AlOH(+2) AlOH+2 Al(1)O(1)H(1)+(2) ref:G9 13.Nov.97 -165475. -183300. -44.2 2.0469 -2.7813 6.8376 -2.6639 29.7923 -0.3457 1.7247 2. HAlO2,AQ HAlO2(0) HAlO2(AQ) H(1)Al(1)O(2)+(0) ref:G9 13.Nov.97 -207700. -227500. 5. 3.5338 0.8485 5.4132 -2.8140 -23.4129 -13.2195 -0.0300 0. AlO2- AlO2(-1) AlO2- Al(1)O(2)-(1) ref:G9 07.Nov.97 -198693. -222125. -7.22 3.7221 3.9954 -1.5879 -2.9441 15.2391 -5.4585 1.7418 -1. Am+3 Am+3 Am+3 Am(1)+(3) ref:G15 11.Feb.98 -142900. -147400. -48.9 -2.9531 -14.9848 11.6223 -2.1594 6.5235 -10.3270 2.3161 3. AmOH+2 AmOH(2) AmOH+2 Am(1)O(1)H(1)+(2) ref:G15 11.Feb.98 -190845. -186550. -2.5 2.7959 -0.9559 6.1280 -2.7394 -4.8573 -10.0418 1.0929 2. AmO+ AmO(1) AmO+ Am(1)O(1)+(1) ref:G15 27.Jun.98 -180340. -171250. 13.6 2.8674 -0.7813 6.0593 -2.7466 -35.6706 -18.5768 0.3444 1. HAmO2 HAmO2(0) HAmO2 Am(1)O(2)H(1)+(0) ref:G15 27.Jun.98 -221190. -206620. 48.7 5.0241 4.4881 3.9810 -2.9644 -73.2025 -30.5340 -0.0300 0. AmF+2 AmF(2) AmF+2 Am(1)F(1)+(2) ref:G15 11.Feb.98 -214880. -220920. -14.2 -2.8891 -14.8280 11.5598 -2.1659 19.5254 -2.4822 1.2776 2. AmF2+ AmF2(1) AmF2+ Am(1)F(2)+(1) ref:G15 11.Feb.98 -285490. -302130. -10. -2.6218 -14.1804 11.3162 -2.1927 16.1668 -1.8012 0.7003 1. AmF3,AQ AmF3(0) AmF3(AQ) Am(1)F(3)+(0) ref:G15 14.Jan.99 -355030. -386410. -19.6 -2.3562 -13.5317 11.0616 -2.2196 -9.2860 -8.2838 -0.0300 0. AmF4- AmF4(-1) AmF4- Am(1)F(4)-(1) ref:G15 14.Jan.99 -423020. -474140. -46. -0.9839 -10.1809 9.7446 -2.3581 -26.7871 -21.9300 2.3239 -1. AmCl+2 AmCl(2) AmCl+2 Am(1)Cl(1)+(2) ref:G15 27.Jun.98 -175710. -184780. -22. -0.2357 -8.3539 9.0265 -2.4336 18.1703 -3.3178 1.3914 2. AmCl2+ AmCl2(1) AmCl2+ Am(1)Cl(2)+(1) ref:G15 14.Jan.99 -207730. -224330. -5. 2.8832 -0.7385 6.0333 -2.7484 9.7834 -3.7964 0.6305 1. AmCl3,AQ AmCl3(0) AmCl3(AQ) Am(1)Cl(3)+(0) ref:G15 18.Jan.99 -237720. -264600. 2.8 6.4188 7.8944 2.6402 -3.1053 -19.2952 -11.7628 -0.0300 0. AmCl4- AmCl4(-1) AmCl4- Am(1)Cl(4)-(1) ref:G15 18.Jan.99 -268230. -308380. 0.5 11.1715 19.4992 -1.9210 -3.5850 -48.4478 -27.2169 1.6238 -1. AmNO3+2 AmNO3(2) AmNO3+2 Am(1)NO3(1)+(2) ref:G15 27.Jun.98 -171220. -204070. -32. 1.3476 -4.4881 7.5070 -2.5934 33.6975 1.6122 1.5372 2. Am(NO3)2+ Am(NO3)2(1) Am(NO3)2+ Am(1)N(2)O(6)+(1) ref:G15 18.Jan.99 -198330. -256390. -4.6 6.1236 7.1736 2.9235 -3.0755 43.5785 7.9761 0.6223 1. AmNO2+2 AmNO2(2) AmNO2+2 Am(1)NO2(1)+(2) ref:G15 27.Jun.98 -153470. -178190. -29.3 0.7899 -5.8466 8.0341 -2.5372 25.9108 -0.9964 1.5067 2. AmH2PO4+2 AmH2PO4(2) AmH2PO4+2 Am(1)H2PO4(1)+(2) ref:G15 27.Jun.98 -417130. -460840. -25.7 1.6320 -3.7971 7.2436 -2.6219 43.0978 5.1660 1.4477 2. AmSCN+2 AmSCN(2) AmSCN+2 Am(1)SCN(1)+(2) ref:G15 27.Jun.98 -122510. -136050. -31.7 2.2644 -2.2529 6.6360 -2.6858 41.0941 4.1830 1.5372 2. Am(SCN)2+ Am(SCN)2(1) Am(SCN)2+ Am(1)S(2)C(2)N(2)+(1) ref:G15 22.Jan.99 -100420. -120030. -4.5 8.0619 11.9065 1.0633 -3.2712 61.2410 14.1151 0.6223 1. Am(SCN)3,AQ Am(SCN)3(0) Am(SCN)3(AQ) Am(1)S(3)C(3)N(3)+(0) ref:G15 22.Jan.99 -78480. -104000. 23.2 14.6427 27.9751 -5.2524 -3.9354 70.5618 19.4692 -0.0300 0. Am(HCO3)+2 Am(HCO3)(2) Am(HCO3)+2 Am(1)H(1)C(1)O(3)+(2) ref:G15 22.Jan.99 -286460. -315940. -26.6 0.7185 -6.0241 8.1108 -2.5299 41.5986 4.6140 1.4574 2. Am(ClO4)+2 Am(ClO4)(2) Am(ClO4)+2 Am(1)Cl(1)O(4)+(2) ref:G15 22.Jan.99 -147420. -189870. -35.8 3.4489 0.6429 5.4904 -2.8055 45.5927 5.5441 1.6005 2. AmCO3+ AmCO3(1) AmCO3+ Am(1)C(1)O(3)+(1) ref:G15 19.Jul.98 -279730. -280130. 103.7 -1.7286 -11.9966 10.4522 -2.2830 -38.6375 -15.6435 -1.0199 1. Am(CO3)2- Am(CO3)2(-1) Am(CO3)2- Am(1)C(2)O(6)-(1) ref:G15 19.Jul.98 -412070. -370270. 84.7 0.0 0.0 0.0 0.0 60.6334 14.8910 0.3461 -1. AmSO4+ AmSO4(1) AmSO4+ Am(1)S(1)O(4)+(1) ref:G15 19.Jul.98 -326080. -314020. -12.4 1.5392 -4.0158 7.3119 -2.6129 -20.9484 -14.6047 0.7384 1. Am(SO4)2- Am(SO4)2(-1) Am(SO4)2- Am(1)S(2)O(8)-(1) ref:G15 19.Jul.98 -506130. -485990. -4.5 4.6821 3.6494 4.3193 -2.9298 -25.2191 -18.8824 1.6997 -1. Am(Ac)+2 AmCH3COO(2) Am(Ac)+2 Am(1)C(2)H(3)O(2)+(2) ref:G15 22.Jan.99 -235220. -266700. -25.2 2.8878 -0.7273 6.0289 -2.7489 57.3678 10.1565 1.4382 2. Am(Ac)2+ Am(CH3COO)2(1) Am(Ac)2+ Am(1)C(4)H(6)O(4)+(1) ref:G15 22.Jan.99 -326360. -385560. -4.1 9.4478 15.2906 -0.2668 -3.4111 102.2060 28.3793 0.6143 1. Am(Ac)3,AQ Am(CH3COO)3(0) Am(Ac)3(AQ) Am(1)C(6)H(9)O(6)+(0) ref:G15 22.Jan.99 -416630. -505490. 10.6 16.8468 33.3569 -7.3677 -4.1579 142.1213 44.3415 -0.0300 0. Am(Lac)+2 AmCH3CH2OCO2(2) Am(Lac)+2 Am(1)C(3)H(5)O(3)+(2) ref:G15 25.Jan.99 -269140. -319200. -30.5 5.0696 4.6000 3.9350 -2.9691 80.3905 17.9069 1.5168 2. Am(Lac)2+ Am(CH3CH2OCO2)2(1) Am(Lac)2+ Am(1)C(6)H(10)O(6)+(1) ref:G15 25.Jan.99 -396460. -489730. -4.2 14.0044 26.4165 -4.6398 -3.8710 155.4532 46.8867 0.6143 1. Am(For)+2 AmCHO2(2) Am(For)+2 Am(1)C(1)H(1)O(2)+(2) ref:G15 25.Jan.99 -230530. -252410. -25.8 0.9287 -5.5108 7.9090 -2.5511 26.7819 -0.5050 1.4477 2. Am(For)2+ Am(CHO2)2(1) Am(For)2+ Am(1)C(2)H(2)O(4)+(1) ref:G15 25.Jan.99 -317720. -357420. -4. 5.2992 5.1607 3.7147 -2.9923 28.9586 2.9204 0.6143 1. Am(Prop)+2 AmCH3CH2CO2(2) Am(Prop)+2 Am(1)C(3)H(5)O(2)+(2) ref:G15 25.Jan.99 -233450. -275460. -28. 4.8782 4.1327 4.1187 -2.9498 84.5913 19.4948 1.4769 2. Am(Prop)2+ Am(CH3CH2CO2)2(1) Am(Prop)2+ Am(1)C(6)H(10)O(4)+(1) ref:G15 25.Jan.99 -322480. -401070. -3.9 13.6283 25.4982 -4.2788 -3.8330 166.3624 50.6784 0.6143 1. Am(But)+2 AmCH3(CH2)2CO2(2) Am(But)+2 Am(1)C(4)H(7)O(2)+(2) ref:G15 25.Jan.99 -231320. -283770. -30.4 6.9922 9.2945 2.0899 -3.1632 99.7521 24.6365 1.5168 2. Am(But)2+ Am(CH3(CH2)2CO2)2(1) Am(But)2+ Am(1)C(8)H(14)O(4)+(1) ref:G15 25.Jan.99 -318540. -416630. -4.2 18.0692 36.3415 -8.5407 -4.2813 201.6874 62.9565 0.6143 1. Am(Glyc)+2 AmCH3OCO2(2) Am(Glyc)+2 Am(1)C(2)H(3)O(3)+(2) ref:G15 25.Jan.99 -267840. -307400. -27.8 2.8119 -0.9126 6.1017 -2.7412 58.0507 10.2699 1.4769 2. Am(Glyc)2+ Am(CH3OCO2)2(1) Am(Glyc)2+ Am(1)C(4)H(6)O(6)+(1) ref:G15 25.Jan.99 -391490. -465260. -3.9 9.2598 14.8314 -0.0864 -3.3921 102.9852 28.6502 0.6143 1. Au+ Au(+) Au+ Au(1)+(1) ref:G9 13.Nov.97 39000. 47900. 25.6 3.5312 0.8428 5.4139 -2.8137 7.5089 -3.0956 0.1648 1. Au+3 Au(+3) Au+3 Au(1)+(3) ref:G9 13.Nov.97 103600. 97800. -54.8 -1.7167 -11.9654 10.4352 -2.2843 23.5775 -4.7048 2.4115 3. AuOH,AQ AuOH(0) AuOH(aq) Au(1)O(1)H(1)+(0) ref:Bess 16.Jun.05 -27514.0 -35003.6 26.34 4.1575 2.37 4.8319 -2.877 -4.7748 -7.3184 0.1432 0. AuHS,AQ Au(HS)(0) Au(HS) Au(HS)+(0) ref:Bess 16.Jun.05 8527.0 9822.1 38.89 10.8066 18.6054 -1.5302 -3.5481 15.9948 0.5046 -0.038 0. Au(HS)2- Au(HS)2(-) Au(HS)2- Au(1)H(2)S(2)-(1) ref:Bess 16.Jun.05 3820.0 -3449.1 49.00 13.4198 24.9861 -4.0306 -3.8119 31.2002 2.858 0.8797 -1. B(OH)3,AQ B(OH)3(AQ) B(OH)3(AQ) B(1)O(3)H(3)+(0) ref:3 13.Jul.87 -231540. -256820. 37.000 7.0643 8.8547 3.5844 -3.1451 11.3568 -0.5902 -0.2000 0. BENZENE,AQ C6H6 BEN(AQ) C(6)H(6)+(0) ref:G18 04.Oct.00 32010. 12220. 35.6 36.09 -15.77 -115.92 10.76 66.9200 9.8000 -0.2500 0. BENZOATE,AQ C7H5O2- BENZ8- C(7)H(5)O(2)-(1) REF:G6 17.JUN.92 -50400. -84990. 36.200 14.0396 25.0153 -0.8986 -3.8130 68.4490 -3.4828 1.0813 -1. BENZOIC-ACID,AQ C7H6O2 BENZAC C(7)H(6)O(2)+(0) REF:G6 28.FEB.92 -56130. -85070. 55.100 15.2056 27.7392 -1.7049 -3.9256 79.1665 3.8322 -0.2221 0. BF4- BF4(-) BF4- B(1)F(4)-(1) ref:2 16.Feb.88 -355400. -376400. 43.000 7.9796 11.7027 1.1504 -3.2628 11.8941 -4.1753 0.9779 -1. BO2- BO2(-) BO2- B(1)O(2)-(1) ref:G6 06.Nov.97 -162240. -184600. -8.9 -2.2428 -6.2065 -6.3216 -2.5224 -1.6521 -11.3863 1.7595 -1. BUTANE,AQ C4H10 BUT(AQ) C(4)H(10)+(0) REF:4 15.JAN.93 36. -36230. 40.020 12.8905 23.6960 -3.5683 -3.7585 79.0569 24.2408 -0.6061 0. BUTANOIC-ACID,AQ C4H8O2 BUAC(AQ) C(4)H(8)O(2)+(0) REF:G6 6.MAR.92 -91210. -127950. 56.100 13.2702 23.3487 -0.6985 -3.7441 72.4342 2.9924 -0.2155 0. Ba(CO3),AQ Ba(CO3)(0) Ba(CO3)(AQ) Ba(1)C(1)O(3)+(0) ref:5 JAN.91 -263830. -285850. 16.000 0.313 -7.018 8.509 -2.489 -14.578 -10.123 -0.038 0. Ba(HCO3)+ Ba(HCO3)(+1) Ba(HCO3) Ba(1)H(1)C(1)O(3)+(1) ref:G7A NOV.92 -275700. -294350. 46.83 7.882 11.464 1.244 -3.253 26.273 4.460 -0.158 1. Ba+2 Ba(+2) Ba+2 Ba(1)+(2) ref:G9 06.Nov.97 -134030. -128500. 2.3 2.7383 -10.0565 -0.0470 -2.3633 3.80 -3.450 0.9850 2. BaCl+ BaCl(+) BaCl+ Ba(1)Cl(1)+(1) ref:5 2.Oct.97 -164730. -165323. 24. 3.4534 0.6537 5.4861 -2.806 11.8213 -1.6759 0.1895 1. BaF+ BaF(+) BaF+ Ba(1)F(1)+(1) ref:5 2.Oct.97 -201120. -206510. 5.5 0.9652 -5.4218 7.874 -2.5548 16.7505 -0.8529 0.4675 1. BaOH+ BaOH(+) BaOH+ Ba(1)O(1)H(1)+(1) ref:G9 13.Nov.97 -172300. -175900. 27.5 3.0700 -0.2825 5.8541 -2.7672 -5.7064 -7.5974 0.1362 1. Be+2 Be(+2) Be+2 Be(1)+(2) ref:G9 11.Nov.97 -90550. -91500. -32.1 -0.5718 -9.1742 9.3462 -2.3996 17.0245 -4.2160 1.5475 2. BeOH+ BeOH(+) BeOH+ Be(1)O(1)H(1)+(1) ref:G9 13.Nov.97 -139900. -153200. -17.9 2.3302 -2.0945 6.5792 -2.6923 30.9714 2.9542 0.8222 -2. BeO,AQ BeO(0) BeO(AQ) Be(1)O(1)+(0) ref:G9 13.Nov.97 -128600. -144100. -25.1 1.8917 -3.1609 6.9887 -2.6482 13.5675 -0.3660 -0.0300 0. HBeO2- HBeO2(-) HBeO2- H(1)Be(1)O(2)-(1) ref:G9 13.Nov.97 -172200. -206700. -33.3 2.9518 -0.5719 5.9708 -2.7553 56.2537 7.5374 2.1351 -1. BeO2-2 BeO2(-2) BeO2-2 Be(1)O(2)-(2) ref:G9 13.Nov.97 -152900. -189700. -41.0 3.2657 0.1906 5.6788 -2.7868 34.0366 -5.6215 3.8330 -2. Br- Br(-) Br- Br(1)-(1) ref:G9 07.Nov.97 -24870. -29040. 19.80 5.2690 6.5940 4.7450 -3.143 -3.80 -6.811 1.3858 -1. Br3- Br3(-) Br3- Br(3)-(1) ref:2 12.Jul.87 -25590. -31170. 51.500 9.0992 14.4364 0.0759 -3.3758 17.2705 -1.8939 0.8490 -1. HBrO,AQ HBrO(0) HBrO(AQ) H(1)Br(1)O(1)+(0) ref:G9 13.Nov.97 -19700. -27000. 33.8 5.5795 5.8410 3.4565 -3.0204 9.8576 -1.2012 -0.1719 0. BrO- BrO(-) BrO- Br(1)O(1)-(1) ref:G9 13.Nov.97 -8000. -22500. 9.7 2.3206 -2.1131 6.5758 -2.6915 3.4104 -8.7381 1.4820 -1. BrO3- BrO3(-) BrO3- Br(1)O(3)-(1) ref:G9 07.Nov.97 4450. -16030. 38.65 6.9617 9.2173 2.1272 -3.1600 3.7059 -7.2308 1.0433 -1. BrO4- BrO4(-) BrO4- Br(1)O(4)-(1) ref:G9 13.Nov.97 28200. 3100. 47.6 8.7361 13.5515 0.4200 -3.3391 11.4884 -4.0937 0.9085 -1. CaOH+ CaOH+ CaOH+ Ca(1)O(1)H(1)+(1) ref:G9 13.Nov.97 -171300. -179600. 6.7 2.7243 -1.1303 6.1958 -2.7322 11.1286 -2.7493 0.4496 1. Ce+4 Ce+4 Ce+4 Ce+4 ref:G9 13.Nov.97 -121300. -137700. -100.1 -4.2792 -18.2247 12.8996 -2.0255 40.2790 -3.0141 3.6964 4. HCN,AQ HCN HCN H(1)C(1)N(1)+(0) ref:G5 4.JUN.93 28600. 25600. 29.8 8.0083 11.7705 1.1286 -3.2655 28.9941 5.2560 -0.1113 0. CN- CN- CN- C(1)N(1)-(1) ref:G9 11.Nov.97 41200. 36000. 22.5 5.4714 5.5813 3.5497 -3.0096 7.6773 -6.6400 1.2900 -1. CO,AQ CO(AQ) CO,AQ C(1)O(1)+(0) ref:G5 17.Jun.92 -28682. -28910. 24.53 6.2373 7.4498 2.8184 -3.0869 40.2522 10.0022 -0.3715 0. CO2,AQ CO2(0) CO2(AQ) C(1)O(2)+(0) ref:G18 18.aug.05 -92250. -98900. 28.100 15.2964 -10.0382 -55.4493 7.4092 36.8069 3.5851 -0.3107 0. CO3-2 CO3(-2) CO3-2 C(1)O(3)-(2) ref:G9 06.Nov.97 -126191. -161385. -11.95 2.8524 -3.9844 6.4142 -2.6143 -3.3206 -17.1917 3.3914 -2. Ca(CO3),AQ Ca(CO3)(0) Ca(CO3)(AQ) Ca(1)C(1)O(3)+(0) ref:5 JAN.91 -262850. -287390. 2.500 -0.2100 -8.295 9.010 -2.436 -11.783 -9.152 -0.038 0. Ca(HCO3)+ Ca(HCO3)(+) Ca(HCO3)+ Ca(1)H(1)C(1)O(3)+(1) ref:G7A JAN.91 -273830. -294350. 16.000 3.706 1.267 5.252 -2.831 41.722 8.336 0.308 1. Ca+2 Ca(+2) Ca+2 Ca(1)+(2) ref:G9 06.Nov.97 -132120. -129800. -13.50 -0.1947 -7.2520 5.2966 -2.4792 9.00 -2.522 1.2366 2. CaCl+ CaCl(+) CaCl+ Ca(1)Cl(1)+(1) ref:5 2.Oct.97 -163100. -168607. 4.5 2.7148 -1.1497 6.1949 -2.7314 20.8839 0.5241 0.4862 1. CaCl2,AQ CaCl2(0) CaCl2(AQ) Ca(1)Cl(2)+(0) ref:5 2.Oct.97 -194000. -211060. 6. 6.2187 7.4058 2.8322 -3.0851 23.961 3.272 -0.038 0. CaF+ CaF(+) CaF+ Ca(1)F(1)+(1) ref:5 18.Sep.97 -200390. -208600. -9. 0.1568 -7.3958 8.6499 -2.4732 30.1743 3.0968 0.6911 1. CaSO4,AQ CaSO4(0) CaSO4(AQ) Ca(1)S(1)O(4)+(0) ref:5 18.Sep.97 -312930. -345900. 5. 2.4079 -1.8992 6.4895 -2.7004 -8.4942 -8.1271 -0.001 0. Cd+2 Cd(+2) Cd+2 Cd(1)+(2) ref:G9 07.Nov.97 -18560. -18140. -17.4 0.0537 -10.7080 16.5176 -2.3363 15.6573 -3.7476 1.2528 2. CdOH+ CdOH(+1) CdOH+ Cd(1)O(1)H(1)+(1) ref:G9 14.Nov.97 -61500. -73400. -2.9 0.1473 -7.4141 8.6471 -2.4724 18.8886 -0.5290 0.5985 1. CdO,AQ CdO(0) CdO(AQ) Cd(1)O(1)+(0) ref:G9 14.Nov.97 -47500. -59750. -4.2 -0.1471 -8.1341 8.9312 -2.4426 -0.3806 -5.2141 -0.0300 0. HCdO2- HCdO2(-1) HCdO2- H(1)Cd(1)O(2)-(1) ref:G9 14.Nov.97 -86500. -117400. -10.9 0.9080 -5.5570 7.9176 -2.5492 23.2446 -2.8512 1.7965 -1. CdO2-2 CdO2(-2) CdO2-2 Cd(1)O(2)-(2) ref:G9 14.Nov.97 -67300. -101000. -20.3 0.7922 -5.8401 8.0303 -2.5375 3.4810 -15.2361 3.5190 -2. Ce+2 Ce(+2) Ce+2 Ce(1)+(2) ref:G9 13.Nov.97 -74900. -70300. 1.4 0.1315 -7.4538 8.6653 -2.4708 8.5755 -5.5196 1.0376 2. Ce+3 Ce(+3) Ce+3 Ce(1)+(3) ref:G9 13.Nov.97 -161600. -167400. -49. -3.4833 -16.2789 12.1302 -2.1059 -0.3550 -12.7510 2.3265 3. Cl- Cl(-) Cl- Cl(1)-(1) ref:G9 07.Nov.97 -31379. -39933. 13.56 4.0320 4.8010 5.5630 -2.847 -4.40 -5.714 1.4560 -1. HClO,AQ HClO(0) HClO(AQ) H(1)Cl(1)O(1)+(0) ref:G9 13.Nov.97 -19100. -28900. 33.9 5.5927 5.8751 3.4387 -3.0218 9.9023 -1.1808 -0.1734 0. ClO- ClO(-) ClO- Cl(1)O(1)-(1) ref:G9 13.Nov.97 -8800. -25600. 10. 2.3599 -2.0164 6.5356 -2.6955 3.4787 -8.6974 1.4767 -1. ClO2- ClO2(-) ClO2- Cl(1)O(2)-(1) ref:G9 13.Nov.97 4100. -15900. 24.2 5.2163 4.9580 3.7949 -2.9839 6.4977 -6.9659 1.2637 -1. ClO3- ClO3(-) ClO3- Cl(1)O(3)-(1) ref:G9 07.Nov.97 -1900. -24850. 38.8 7.1665 9.7172 1.9307 -3.1807 8.5561 -5.5401 1.0418 -1. ClO4- ClO4(-) ClO4- Cl(1)O(4)-(1) ref:G9 07.Nov.97 -2040. -30910. 43.5 8.1411 15.5654 -7.8077 -3.4224 16.45 -6.57 0.9699 -1. Co+2 Co(+2) Co+2 Co(1)+(2) ref:G9 07.Nov.97 -13000. -13900. -27.0 -1.2252 -8.9356 5.3191 -2.4095 15.2013 -4.6234 1.4769 2. Co+3 Co(+3) Co+3 Co(1)+(3) ref:G9 13.Nov.97 32000. 22000. -73. -2.8678 -14.7777 11.5439 -2.1680 16.4739 -8.0659 2.6901 3. CoOH+ CoOH(+1) CoOH+ Co(1)O(1)H(1)+(1) ref:G9 13.Nov.97 -56025. -68450. -10. -0.2561 -8.4039 9.0457 -2.4315 26.6839 1.8542 0.7003 1. CoO,AQ CoO(+0) CoO(AQ) Co(1)O(1)+(0) ref:G9 13.Nov.97 -44000. -58800. -17.8 -1.5566 -11.5736 10.2791 -2.3004 8.7031 -2.0567 -0.0300 0. HCoO2- HCoO2(-1) HCoO2- H(1)Co(1)O(2)-(1) ref:G9 13.Nov.97 -83400. -117100. -25.5 -0.0971 -8.0155 8.8926 -2.4475 44.7712 3.9116 2.0211 -1. CoO2-2 CoO2(-2) CoO2-2 Co(1)O(2)-(2) ref:G9 13.Nov.97 -63200. -99000. -32.7 -0.0590 -7.9219 8.8540 -2.4514 21.8518 -9.4714 3.7128 -2. CoOH+2 CoOH(+2) CoOH+2 Co(1)O(1)H(1)+(2) ref:G9 13.Nov.97 -23000. -36100. -27.8 -1.0884 -10.4353 9.8425 -2.3475 16.5492 -4.1549 1.4769 2. o-CRESOL,AQ C6H4OHCH3 o-CRESOL(AQ) C(7)H(8)O(1)+(0) ref:G10 22.Feb.96 -12725. -45081. 50.4 15.4181 28.2184 -1.8079 -3.9454 89.9089 5.1956 -0.2532 0. m-CRESOL,AQ C6H4OHCH3 m-CRESOL(AQ) C(7)H(8)O(1)+(0) ref:G10 22.Feb.96 -13890. -45560. 52.7 15.4233 28.2298 -1.8101 -3.9459 88.8505 5.0474 -0.2380 0. p-CRESOL,AQ C6H4OHCH3 p-CRESOL(AQ) C(7)H(8)O(1)+(0) ref:G10 22.Feb.96 -11625. -44245. 49.5 15.4161 28.2174 -1.8159 -3.9454 81.0624 4.1088 -0.2592 0. Cr2O7-2 Cr2O7(-2) Cr2O7-2 Cr(2)O(7)-(2) ref:G9 07.Nov.97 -312970. -355370. 72. 12.4303 22.5680 -3.1161 -3.7119 8.6580 -8.9622 2.1216 -2 CrO4-2 CrO4(-2) CrO4-2 Cr(1)O(4)-(2) ref:G9 07.Nov.97 -174800. -210930. 13.8 5.4891 5.6223 3.5382 -3.0113 -2.8608 -15.7861 3.0024 -2. Cs+ Cs(+) Cs+ Cs(1)+(1) ref:G9 06.Nov.97 -69710. -61670. 31.75 6.1475 -0.1309 4.2094 -2.7736 6.27 -5.736 0.0974 1. CsBr,AQ CsBr(0) CsBr(AQ) Cs(1)Br(1)+(0) ref:5 18.Sep.97 -94610. -88490. 57.3 9.5646 15.5757 -0.3789 -3.4228 -9.4143 -8.4469 -0.001 0. CsCl,AQ CsCl(0) CsCl(AQ) Cs(1)Cl(1)+(0) ref:5 18.Sep.97 -100900. -100950. 52.58 8.401 12.7344 0.7379 -3.3054 -6.0563 -7.9234 0.2 0. CsI,AQ CsI(0) CsI(AQ) Cs(1)I(1)+(0) ref:5 18.Sep.97 -83460. -77820. 60.3 11.6513 20.6709 -2.3815 -3.6335 -7.212 -8.0048 0.1 0. CsOH,AQ CsOH(0) CsOH(AQ) Cs(1)O(1)H(1)+(0) ref:G9 13.Nov.97 -105000. -112300. 35.9 5.6685 6.0571 3.3740 -3.0293 -12.8052 -9.5325 -0.0300 0. Cu+ Cu(+) Cu+ Cu(1)+(1) ref:G9 13.Nov.97 11950. 17132. 9.7 0.8070 -5.8040 8.0165 -2.5390 17.9233 -0.2438 0.4046 1. Cu+2 Cu(+2) Cu+2 Cu(1)+(2) ref:G9 07.Nov.97 15675. 15700. -23.2 -1.1021 -10.4726 9.8662 -2.3461 20.3 -4.39 1.4769 2. CuOH+ CuOH(+1) CuOH+ Cu(1)O(1)H(1)+(1) ref:G9 13.Nov.97 -30200. -41700. -6.1 -0.0277 -7.8416 8.8142 -2.4547 21.5062 0.2246 0.6472 1. CuO,AQ CuO(0) CuO(AQ) Cu(1)O(1)+(0) ref:G9 13.Nov.97 -20800. -34200. -12.4 -0.3937 -8.7360 9.1675 -2.4178 12.1490 -3.3197 0.7384 0. HCuO2- HCuO2(-1) HCuO2- H(1)Cu(1)O(2)-(1) ref:G9 13.Nov.97 -60100. -86300. 0.3 1.3202 -4.5527 7.5282 -2.5907 -3.2749 -8.0659 0.5464 -1. CuO2-2 CuO2(-2) CuO2-2 Cu(1)O(2)-(2) ref:G9 13.Nov.97 -41200. -74400. -23.1 0.6024 -6.3038 8.2129 -2.5183 7.6532 -13.9325 3.5647 -2. CYCLOHEXANE,AQ C6H12 CYHEX(aq) C(6)H(12)+(0) REF:G18 04.Oct.00 10780. -37400. 34.0 39.67 -4.30 -120.70 2.39 90.82 18.64 -0.39 0. CYSTEINE,AQ C3H7NO2S CYS(AQ) C(3)H(7)O(2)N(1)S(1)+(0) ref:PC1 28.Nov.06 -80330. -124070. 46.32 18.14 2.40 9.31 -4.97 59.8 -5.60 0.15 0. CYSTATE,AQ C3H6NO2S- CYS-(AQ) C(3)H(6)O(2)N(1)S(1)-(1) ref:PC1 28.Nov.06 -68920. -115440. 37.01 14.44 5.08 12.24 -3.68 61.0 -9.50 2.59 -1. DECANOATE,AQ C10H19O2- N-DEC8- C(10)H(19)O(2)-(1) REF:G6 28.FEB.92 -72460. -162700. 72.100 24.5511 48.6514 -5.8334 -4.7901 181.6400 -1.8100 0.5372 -1. DECANOIC-ACID,AQ C10H20O2 DEAC C(10)H(20)O(2)+(0) REF:G6 28.FEB.92 -79170. -162200. 96.300 26.2766 52.8294 -7.4002 -4.9629 178.2298 15.7672 0.0510 0. 2-3DMP,AQ C6H3OHCH3CH3 2-3DMP(AQ) C(8)H(10)O(1)+(0) ref:G10 20.Nov.97 -11005. -53849. 47.8 17.3144 32.5179 -2.7887 -4.1232 105.9743 7.2013 -0.2705 0.0000 2,4-DMP,AQ C6H3OHCH3CH3 2,4-DMP(AQ) C(8)H(10)O(1)+(0) ref:G10 20.Nov.97 -13081. -52675. 58.7 17.3388 32.5725 -2.7994 -4.1254 102.4043 6.6776 -0.1982 0. 2-5DMP,AQ C6H3OHCH3CH3 2-5DMP(AQ) C(8)H(10)O(1)+(0) ref:G10 20.Nov.97 -11875. -54420. 48.8 17.3166 32.5246 -2.7936 -4.1235 110.8307 7.7941 -0.2639 0.0000 2-6DMP,AQ C6H3OHCH3CH3 2-6DMP(AQ) C(8)H(10)O(1)+(0) ref:G10 20.Nov.97 -10973. -52445. 52.4 17.3247 32.5408 -2.7930 -4.1241 102.8187 6.7764 -0.2400 0.0000 3-4DMP,AQ C6H3OHCH3CH3 3-4DMP(AQ) C(8)H(10)O(1)+(0) ref:G10 20.Nov.97 -12264. -54422. 50.1 17.3196 32.5292 -2.7906 -4.1237 97.9627 6.1935 -0.2552 0.0000 3-5DMP,AQ C6H3OHCH3CH3 3-5DMP(AQ) C(8)H(10)O(1)+(0) ref:G10 20.Nov.97 -12459. -54945. 49.0 17.3171 32.5233 -2.7885 -4.1234 104.6091 7.0234 -0.2625 0.0000 DODECANOATE,AQ C12H23O2- N-DO8- C(12)H(23)O(2)-(1) REF:G6A 2.Jun.98 -68370. 174040. 85.500 28.7122 58.3495 -8.6541 -5.1911 217.0287 -1.5510 0.3340 -1. DODECANOIC-ACID,AQ C12H24O2 DOAC C(12)H(24)O(2)+(0) REF:G6 28.FEB.92 -75080. -173540. 109.700 30.6308 62.6966 -9.6387 -5.3708 212.9354 19.9564 0.1399 0. Dy+2 Dy(+2) Dy+2 Dy(1)+(2) ref:G9 13.Nov.97 -102800. -99900. -3.6 0.0206 -7.7248 8.7724 -2.4596 9.8690 -5.3159 1.1144 2. Dy+3 Dy(+3) Dy+3 Dy(1)+(3) ref:G9 07.Nov.97 -158700. -166500. -55.2 -3.0003 -15.1074 11.6879 -2.1545 9.5076 -9.4919 2.3792 3. Dy+4 Dy(+4) Dy+4 Dy(1)+(4) ref:G9 13.Nov.97 -55700. -73400. -104.0 -4.3164 -18.3144 12.9330 -2.0218 40.0550 -3.2586 3.7484 4. ETHANAMINE,AQ C2H5NH2 ETAM(AQ) C(2)H(7)N(1)+(0) ref:4 1.OCT.87 6300. -23830. 33.600 9.7281 11.3257 11.2651 -3.2471 55.6799 -0.2142 -0.1688 0. ETHANE,AQ C2H6 ETH(AQ) C(2)H(6)+(0) ref:4 31.Aug.87 -3886. -24710. 26.590 8.7500 13.1051 1.6258 -3.3207 73.8072 2.2242 -0.0627 0. ETHANOL,AQ C2H5OH ETOL(aq) C(2)H(6)O(1)+(0) ref:G18 04.Oct.00 -43240. -68770. 35.3 11.71 6.21 5.98 -3.35 58.80 1.67 -0.12 0. ETHYLACETATE,AQ CH3COOCH2CH3 ETHACE(AQ) C(4)H(8)O(2)+(0) ref:G2 18.Mar.93 -79300. -116840. 53.400 1.38375 24.6396 -1.0033 -3.7975 83.6983 4.4052 -0.2334 0. ETHYLBENZENE,AQ C6H5C2H5 ETBN(AQ) C(8)H(10)+(0) ref:4 4.Sep.87 32440. -2500. 49.800 17.5572 33.0675 -2.9124 -4.1459 102.5478 6.6974 -0.2 0. ETHYLENE,AQ C2H4 ETHLE(aq) C(2)H(4)+(0) ref:G18 04.Oct.00 19530. 8610. 28.6 17.69 -5.50 -53.78 3.59 43.98 12.91 -0.31 0. ETHYNE,AQ C2H2 ETHY(AQ) C(2)H(2)+(0) ref:4 31.Aug.87 51890. 50700. 30.000 8.3577 12.6272 0.7833 -3.3009 33.0423 7.7615 -0.4543 0. Er+2 Er(+3) Er+2 Er(1)+(3) ref:G9 13.Nov.97 -91600. -89150. -5.5 -0.0104 -7.7996 8.7981 -2.4565 10.3150 -5.2548 1.1437 2. Er+3 Er(+3) Er+3 Er(1)+(3) ref:G9 07.Nov.97 -159900. -168500. -58.3 -3.3041 -15.8492 11.9794 -2.1238 8.2815 -10.0215 2.4115 3. Er+4 Er(+4) Er+4 Er(1)+(4) ref:G9 13.Nov.97 -28100. -45900. -104.7 -4.3256 -18.3402 12.9496 -2.0207 40.0003 -3.3197 3.7615 4. Eu+2 Eu(+2) Eu+2 Eu(1)+(2) ref:G9 13.Nov.97 -129200. -126150. -2.4 0.0407 -7.6776 8.7578 -2.4615 9.5539 -5.3567 1.0929 2. Eu+3 Eu(+3) Eu+3 Eu(1)+(3) ref:G9 07.Nov.97 -137300. -144700. -53.0 -3.1037 -15.3599 11.7871 -2.1440 6.0548 -10.4900 2.3161 3. Eu+4 Eu(+4) Eu+4 Eu(1)+(4) ref:G9 13.Nov.97 5000. -12700. -103.3 -4.3071 -18.2951 12.9322 -2.0226 40.0515 -3.2178 3.7353 4. F- F(-) F- F(1)-(1) ref:G9 07.Nov.97 -67340. -80150. -3.15 0.6870 1.3588 7.6033 -2.8352 4.46 -7.488 1.7870 -1. FORMATE,AQ HCO2- FOR- H(1)C(1)O(2)-(1) REF:G6 28.FEB.92 -83862. -101680. 21.700 5.7842 4.7242 7.3630 -2.9742 17.0000 -12.4000 1.3003 -1. FORMIC-ACID,AQ H2CO2 FOAC(AQ) C(1)H(2)O(2)+(0) REF:G6 17.JUN.92 -88982. -101680. 38.900 6.3957 7.7713 2.8318 -3.1002 26.1000 -3.1000 -0.3300 0. Fe+2 Fe(+2) Fe+2 Fe(1)+(2) ref:2,13,14, 13.Nov.97 -21870. -22050. -25.3 -0.7867 -9.6969 9.5479 -2.3780 14.7860 -4.6437 1.4382 2. Fe+3 Fe(+3) Fe+3 Fe(1)+(3) ref:2,14,G9 13.Nov.97 -4120. -11850. -66.3 -2.4256 -13.6961 11.1141 -2.2127 19.0459 -6.8233 2.5812 3. FeCl+ FeCl(+) FeCl+ Fe(1)Cl(1)+(1) ref:5 18.Sep.97 -53030. -61260. -10.06 2.1468 -2.5367 6.7401 -2.6741 24.6912 1.1617 0.7003 1. FeCl2,AQ FeCl2(0) FeCl2(AQ) Fe(1)Cl(2)+(0) ref:5 2.Oct.97 -73480. -78490. 43. 5.5057 5.665 3.5164 -3.0131 22.9295 2.9135 -0.038 0. FeOH+2 FeOH(+2) FeOH+2 Fe(1)O(1)H(1)+(2) ref:G9 13.Nov.97 -57800. -70000. -25.4 -1.1562 -10.6009 9.9077 -2.3407 14.6102 -4.7048 1.4382 2. FeOH+ FeOH(+1) FeOH+ Fe(1)O(1)H(1)+(1) ref:G9 13.Nov.97 -65850. -78080. -10. -0.2561 -8.4039 9.0457 -2.4315 21.4093 0.0209 0.7003 1. FeO+ FeO(+1) FeO+ Fe(1)O(1)+(1) ref:G9 13.Nov.97 -53100. -61000. -11.1 -3.7118 -16.8408 12.3595 -2.0827 -15.3982 -12.8325 0.7191 1. FeO,AQ FeO(+0) FeO,AQ Fe(1)O(1)+(0) ref:G9 13.Nov.97 -50720. -62950. -10. -0.5029 -9.0053 9.2791 -2.4066 5.8901 -3.0345 -0.0300 0. HFeO2- HFe2O(-1) HFeO2- H(1)Fe(1)O(2)-(1) ref:G9 13.Nov.97 -95400. -125700. -15. 0.6272 -6.2440 8.1905 -2.5208 36.1624 1.4468 1.8564 -1. HFeO2,AQ HFeO2(+0) HFeO2(AQ) H(1)Fe(1)O(2)+(0) ref:G9 13.Nov.97 -101100. -120300. 22.2 2.7401 -1.0905 6.1776 -2.7338 -37.8300 -18.2305 -0.0300 0. FeO2- FeO2(-1) FeO2- Fe(1)O(2)-(1) ref:G9 13.Nov.97 -88000. -110700. 10.6 2.3837 -1.9602 6.5182 -2.6979 -13.3207 -14.5028 1.4662 -1. GLUTAMIC-ACID,AQ C5H9NO4 GLU(AQ) C(5)H(9)O(4)N(1)+(0) ref:PC1 28.Nov.06 -173050. -234820. 61.2 22.30 4.23 6.55 -5.84 65.2 -10.0 0.15 0. GLUTAMATE,AQ C5H8NO4- GLU(AQ) C(5)H(8)O(4)N(1)-(1) ref:PC1 28.Nov.06 -167210. -234150. 43.86 20.49 6.96 10.86 -7.02 47.6 -7.80 2.65 -1. GLUTAMINE,AQ C5H10N2O3 GLN(AQ) C(5)H(10)O(3)N(2)+(0) ref:PC1 28.Nov.06 -126280. -191860. 62.41 23.22 3.58 5.44 -5.23 68.6 -11.4 0.18 0. GLUTARATE,AQ C5H6O4-2 glu-2 C(5)H(6)O(4)-(2) ref:G6 16.JUN.92 -163470. -224140. 26.200 12.5965 21.8248 -0.3592 -3.6811 -4.4360 -4.5871 2.8159 -2. GLUTARIC-ACID,AQ C5H8O4 GLUAC C(5)H(8)O(4)+(0) REF:G6 28.FEB.92 -176780. -223440. 73.200 15.2749 27.8946 -1.7361 -3.9321 60.3712 1.3721 -0.1021 0. GLYCINE,AQ C2H5NO2 GLY(AQ) C(2)H(5)O(2)N(1)+(0) ref:PC1 29.Nov.06 -90950. -124780. 39.29 11.30 0.71 3.99 -3.04 28.5 -8.40 0.23 0. GLYCINE+,AQ C2H6NO2+ GLY+ C(2)H(6)O(2)N(1)+(1) ref:PC1 29.Nov.06 -94160. -125720. 46.91 19.57 -7.58 -40.35 5.41 49.0 -1.80 0.59 1. GLYCINATE,AQ C2H4NO2- GLY- C(2)H(4)O(2)N(1)-(1) REF:G7 JUN.93 -75280. -112300. 28.480 8.1592 11.7696 1.9210 -3.2655 12.9389 -4.1859 1.1975 -1. GLYCOLATE,AQ C2H3O3- C2H3O3- C(2)H(3)O(3)-(1) ref:G6 17.JUN.92 -121170. -154700. 26.200 7.6349 11.0570 0.9834 -3.2360 26.0463 -4.0271 1.2334 -1. GLYCOLIC-ACID,AQ C2H4O3 glyac C(2)H(4)O(3)+(0) ref:G6 16.JUN.92 -126400. -154890. 43.100 8.7445 12.1496 4.0222 -3.2812 43.6669 -0.4655 -0.3017 0. Ga+3 Ga(+3) Ga+3 Ga(1)+(3) ref:G9 07.Nov.97 -38000. -50600. -79. -2.8378 -14.7065 11.5197 -2.1709 16.2356 -8.4326 2.7787 3. GaOH+2 GaOH(+2) GaOH+2 Ga(1)O(1)H(1)+(2) ref:G9 13.Nov.97 -91100. -116700. -67.3 1.6572 -3.7321 7.2107 -2.6246 48.3870 5.0115 2.0700 2. GaO+ GaO(+1) GaO+ Ga(1)O(1)+(1) ref:G9 13.Nov.97 -86600. -100900. -29.2 2.1299 -2.5806 6.7629 -2.6722 -0.7503 -8.6363 0.9986 1. HGaO2,AQ HGaO2(0) HGaO2(AQ) H(1)Ga(1)O(2)+(1) ref:G9 13.Nov.97 -137300. -158600. 2.9 3.4470 0.6328 5.5060 -2.8051 -12.1716 -9.2677 -0.0439 0. GaO2- GaO2(-1) GaO2- Ga(1)O(2)-(1) ref:G9 13.Nov.97 -128700. -153900. -10.0 3.6247 1.0721 5.3221 -2.8232 14.3978 -5.8659 1.7777 -1. Gd+2 Gd(+2) Gd+2 Gd(1)+(2) ref:G9 13.Nov.97 -70600. -67400. -4.3 0.0094 -7.7516 8.7810 -2.4584 9.9946 -5.2956 1.1216 2. Gd+3 Gd(+3) Gd+3 Gd(1)+(3) ref:G9 07.Nov.97 -158600. -164200. -49.2 -2.9771 -15.0506 11.6656 -2.1568 6.5606 -10.3474 2.3265 3. Gd+4 Gd(+4) Gd+4 Gd(1)+(4) ref:G9 13.Nov.97 12600. -5700. -107.6 -4.3532 -18.4052 12.9700 -2.0180 39.8394 -3.5030 3.8013 4. H+ h(+) H+ h(1)+(1) ref:G9 06.Nov.97 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 1. H-ADIPATE,AQ C6H9O4- Hadi- C(6)H(9)O(4)-(1) REF:G6 17.JUN.92 -166770. -227130. 59.800 15.9795 29.4936 -2.1047 -3.9982 50.218 -3.6684 0.7234 -1. H-AZELATE,AQ C9H15O4- Haze- C(9)H(15)O(4)-(1) REF:G6 17.JUN.92 -157490. -240970. 80.000 22.2952 43.8077 -5.3553 -4.5899 109.5312 -2.8963 0.4174 -1. H-GLUTARATE,AQ C5H7O4- Hglu- C(5)H(7)O(4)-(1) REF:G6 17.JUN.92 -170860. -223570. 52.900 13.7966 24.5470 -0.9823 -3.7937 35.5763 -3.8623 0.8279 -1. H-MALONATE,AQ C3H3O4- Hmal- C(3)H(3)O(4)-(1) ref:G6 16.JUN.92 -171530. -207850. 42.700 9.9065 15.7293 1.0227 -3.4291 11.9343 -4.1738 0.9826 -1. H-OXALATE,AQ C2HO4- Hoxa- C(2)H(1)O(4)-(1) ref:G6 17.JUN.92 -166907. -195600. 36.000 7.9276 11.2406 2.0500 -3.2436 6.5915 -6.3548 1.0831 -1. H-PIMELATE,AQ C7H11O4- Hpim- C(7)H(11)O(4)-(1) REF:G6 17.JUN.92 -166260. -234040. 67.500 18.0762 34.2416 -3.1742 -4.1944 66.6044 -3.4514 0.6069 -1. H-SEBACATE,AQ C10H17O4- Hseb- C(10)H(17)O(4)-(1) ref:G6 16.JUN.92 -155040. -246230. 86.700 24.4230 48.6302 -6.4512 -4.7893 129.2733 -2.6394 0.3158 -1. H-SUBERATE,AQ C8H13O4- Hsub- C(8)H(13)O(4)-(1) REF:G6 17.JUN.92 -162340. -238130. 73.200 20.1680 38.9836 -4.2530 -4.3905 89.8033 -3.1533 0.5205 -1. H-SUCCINATE,AQ C4H504- Hsuc- C(4)H(5)O(4)-(1) ref:G6 16.JUN.92 -172060. -217350. 45.200 11.6617 19.7057 0.1226 -3.5935 26.117 -3.9932 0.9446 -1. H2,AQ H2(0) H2(AQ) H(2)+(0) ref:3 13.Jul.87 4236. -1000. 13.800 5.1427 4.7758 3.8729 -2.9764 27.6251 5.0930 -0.2090 0. H3AsO3,AQ H3AsO3(0) H3AsO3(aq) H(3)As(1)O(3)+(0) ref:Bess 16.Jun.05 -152910.0 -176727.6 48.90 8.4573 12.8691 0.7177 -3.311 34.8073 7.0632 -0.038 0. H2AsO3- H2AsO3(-) H2AsO3- H(2)As(1)O(3)-(1) ref:Bess 16.Jun.05 -140289.0 -169443.4 31.00 8.5857 13.1826 0.5948 -3.324 41.349 5.5208 0.82 -1. H2AsO3-_orig H2AsO3(-) H2AsO3- H(2)As(1)O(3)-(1) ref:2 3.Jul.87 -140330. -170840. 26.400 5.7934 6.3646 3.2485 -3.0421 15.8032 -3.6253 1.2305 -1. H2AsO4- H2AsO4(-) H2AsO4- H(2)As(1)O(4)-(1) ref:G9 11.Nov.97 -180010. -217390. 28.0 6.7429 8.6835 2.3351 -3.1379 16.9206 -3.1567 1.2055 -1. H3As3S6,AQ H3As3S6(0) H3As3S6(aq) H(3)As(3)S(6)+(0) ref:Bess 16.Jun.05 -35728.0 -41280.5 99.00 14.6116 27.8963 -5.1709 -3.9322 67.193 18.3539 -0.038 0. H2As3S6- H2As3S6(-) H2As3S6- H(2)As(3)S(6)-(1) ref:Bess 16.Jun.05 -30844.0 -37082.3 96.70 14.4063 27.3951 -4.9745 -3.9115 73.5219 19.9324 0.1575 -1. HAs3S6-2 HAs3S6(-2) HAs3S6-2 H(1)As(3)S(6)-(2) ref:Bess 16.Jun.05 -20057.0 -30481.3 82.66 13.3929 24.9204 -4.0048 -3.8092 76.8851 15.2133 1.9918 -2. H2P2O7-2 H2P2O7(-2) H2P2O7-2 H(2)P(2)O(7)-(2) ref:G9 11.Nov.97 -480400. -544600. 39.0 9.0963 14.4299 0.0760 -3.3754 40.6359 0.5505 2.6218 -2. H2PO4- H2PO4(-) H2PO4- H(2)P(1)O(4)-(1) ref:G9 06.Nov.97 -270140. -309820. 21.6 6.4875 8.0594 2.5823 -3.1122 14.0435 -4.4605 1.3003 -1. H2S,AQ_orig H2S(0) H2S(AQ) H(2)S(1)+(0) ref:3 26.Jun.87 -6673. -9001. 30.000 6.5097 6.7724 5.9646 -3.0590 32.3000 4.7300 -0.1000 0. H2S,AQ H2S(0) H2S(aq) H(2)S(1)+(0) ref:Bess 16.Jun.05 -6673.0 -9307.0 30.00 6.4685 6.5969 6.1947 -3.0517 32.3 4.1035 -0.1774 0. H3VO4,AQ H3VO4(0) H3VO4(AQ) H(3)V(1)O(4)+(0) ref:G9 13.Nov.97 -249200. -284600. 37.1 6.9310 9.1392 2.1640 -3.1567 15.3166 0.8561 -0.2218 0. H2VO4- H2VO4(-) H2VO4- H(2)V(1)O(4)-(1) ref:G9 13.Nov.97 -243990. -280620. 29.0 6.4502 7.9653 2.6252 -3.1082 38.1088 4.2579 1.1898 -1. H3P2O7- H3P2O7(-) H3P2O7- H(3)P(2)O(7)-(1) ref:G9 11.Nov.97 -483600. -544100. 51.0 9.1292 14.5122 0.0398 -3.3788 35.9785 4.5838 0.8568 -1. H3PO4,AQ H3PO4(0) H3PO4(AQ) H(3)P(1)O(4)+(0) ref:3 11.Jul.87 -273100. -307920. 38.000 8.2727 12.4182 0.8691 -3.2924 17.9708 1.7727 -0.2200 0. HAsO4-2 HAsO4(-2) HAsO4-2 H(1)As(1)O(4)-(2) ref:G9 11.Nov.97 -170790. -216620. -0.4 4.3994 2.9611 4.5853 -2.9013 7.9908 -12.7102 3.2197 -2. HCO3- HCO3(-) HCO3- H(1)C(1)O(3)-(1) ref:G9 06.Nov.97 -140282. -164898. 23.53 7.5621 1.1505 1.2346 -2.8266 12.9395 -4.7579 1.2733 -1. HCrO4- HCrO4(-) HCrO4- H(1)Cr(1)O(4)-(1) ref:G9 07.Nov.97 -183700. -210000. 46.6 8.2211 12.2925 0.9174 -3.2871 15.5492 -2.7290 0.9230 -1 HEPTANE,AQ C7H16 HEPT(AQ) C(7)H(16)+(0) REF:4 15.JAN.93 6470. -52950. 60.000 19.2745 39.2810 -9.6879 -4.4028 112.8980 36.9721 -0.9086 0. HEPTANOATE,AQ C7H1302- N-HEP8- C(7)H(13)O(2)-(1) REF:G6 28.FEB.92 -78525. -145620. 52.000 18.0474 33.1726 -0.6108 -4.1503 124.5591 -2.7582 0.8417 -1. HEPTANOIC-ACID,AQ C7H14O2 HPAC(AQ) C(7)H(14)O(2)+(0) REF:G6 17.JUN.92 -85200. -145080. 76.200 19.7454 38.0251 -4.0341 -4.3509 126.1711 9.4836 -0.0822 0. HEXANOATE,AQ C6H11O2- N-HEX8- C(6)H(11)O(2)-(1) REF:G6 28.FEB.92 -80490. -139870. 45.300 16.0700 29.6995 -2.1530 -4.0067 104.8115 -3.0151 0.9427 -1. HEXANOIC-ACID,AQ C6H12O2 HXAC(AQ) C(6)H(12)O(2)+(0) REF:G6 6.MAR.92 -87120. -139290. 69.500 17.6709 33.3251 -2.9700 -4.1566 108.8183 7.3890 -0.1266 0. HF,AQ HF(0) HF(AQ) H(1)F(1)+(0) ref:3 7.Feb.89 -71662. -76835. 22.500 3.4753 0.7042 5.4732 -2.8081 14.3647 -0.1828 -0.0007 0. HF2- HF2(-) HF2- H(1)F(2)-(1) ref:2 12.Jul.87 -138160. -155340. 22.100 5.2263 4.9797 3.7928 -2.9849 -1.3751 -9.7974 1.2934 -1. HISTIDINE,AQ C6H9N3O2 HIS(AQ) C(6)H(9)O(2)N(3)+(0) ref:PC1 29.Nov.06 -48420. -108200. 66.00 24.32 4.80 7.52 -6.05 81.6 -11.30 0.27 0. HISTIDINE+,AQ C6H10N3O2+ HIS+ C(6)H(10)O(2)N(3)+(1) ref:PC1 29.Nov.06 -56700. -115250. 70.13 26.64 -3.40 -0.88 -3.07 88.0 -12.00 0.50 1. HNO3,AQ HNO3(0) HNO3(AQ) H(1)N(1)O(3)+(0) ref:G9 11.Nov.97 -24730. -45410. 42.7 7.1623 9.7063 1.9367 -3.1802 13.8907 0.6320 -0.3066 0. HO2- HO2(-) HO2- H(1)O(2)-(1) ref:G9 11.Nov.97 -16090. -38320. 5.7 2.6566 -1.2961 6.2619 -2.7253 -1.5190 -10.6529 1.5449 -1. HPO4-2 HPO4(-2) HPO4-2 H(1)P(1)O(4)-(2) ref:G9 06.Nov.97 -260310. -308815. -8.0 3.6315 1.0857 5.3233 -2.8239 2.7357 -14.9103 3.3363 -2. HS-_orig HS(-) HS- H(1)S(1)-(1) ref:G9 07.Nov.97 2860. -3850. 16.3 5.0119 4.9799 3.4765 -2.9849 3.42 -6.27 1.4410 -1. HS- HS(-) HS- H(1)S(1)-(1) ref:Bess 16.Jun.05 2860.0 -3858.6 16.30 5.17 4.4743 4.098 -2.975 -1.9779 -3.3952 1.63 -1. HSO3- HSO3(-) HSO3- H(1)S(1)O(3)-(1) ref:G9 07.Nov.97 -126130. -149670. 33.4 6.7014 8.5816 2.3771 -3.1338 15.6949 -3.3198 1.1233 -1. HSO4- HSO4(-) HSO4- H(1)S(1)O(4)-(1) ref:G9 07.Nov.97 -180630. -212500. 30.0 6.9788 9.2590 2.1108 -3.1618 20.0961 -1.9550 1.1748 -1. HSO5- HSO5(-) HSO5- H(1)S(1)O(5)-(1) ref:G9 13.Nov.97 -152370. -185380. 50.7 8.9391 14.0430 0.2349 -3.3594 35.7254 4.4819 0.8611 -1. HSe- HSe(-) HSe- H(1)Se(1)-(1) ref:G9 13.Nov.97 10500. 3800. 19. 4.9823 4.3855 4.0227 -2.9602 6.9147 -7.0678 1.340 -1. H2SeO3,AQ HSeO3(0) H2SeO3(AQ) H(2)Se(1)O(3)+(0) ref:G9 13.Nov.97 -101850. -121290. 49.7 7.9475 11.6240 1.1819 -3.2594 22.9944 4.1356 -0.4127 0. HSeO3- HSeO3(-) HSeO3- H(1)Se(1)O(3)-(1) ref:G9 13.Nov.97 -98340. -122980. 32.3 6.4061 7.8624 2.6551 -3.1039 20.4808 -1.7105 1.1402 -1. HSeO4- HSeO4(-) HSeO4- H(1)Se(1)O(4)-(1) ref:G9 13.Nov.97 -108100. -139000. 35.7 7.5244 10.5922 1.5837 -3.2168 23.2855 -0.5697 1.0885 -1. HSiO3- HSiO3(-) HSiO3- H(1)Si(1)O(3)-(1) ref:5 18.Sep.97 -242801. -273872. 5. 2.9735 -0.5158 5.9467 -2.7575 8.1489 -7.3123 1.5511 -1. HVO4-2 HVO4(-2) HVO4-2 H(1)V(1)O(4)-(2) ref:G9 13.Nov.97 -233000. -277000. 4. 4.5410 3.3077 4.4469 -2.9156 86.3755 14.7484 3.1527 -2. He,AQ He(0) He(AQ) He(1)+(0) ref:3 13.Jul.87 4658. -150. 14.020 3.4722 0.6967 5.4762 -2.8078 26.0707 4.5634 -0.2123 0. Hg+2 Hg(+2) Hg+2 Hg(1)+(2) ref:2 1.Jul.87 39360. 40670. -8.680 -0.5280 -9.0707 9.3152 -2.4040 18.0613 -2.5865 1.1512 2. HgOH+ HgOH(+1) HgOH+ Hg(1)O(1)H(1)+(1) ref:G9 14.Nov.97 -12700. -20400. 16.7 1.2505 -4.7196 7.5872 -2.5838 36.1808 6.4374 0.2998 1. HgO,AQ HgO(0) HgO(AQ) Hg(1)O(1)+(0) ref:G9 14.Nov.97 -8900. -19200. 8.2 0.6191 -6.2664 8.2051 -2.5198 -8.6440 -8.0863 -0.0300 0. HHgO2- HHgO2(-1) HHgO2- H(1)Hg(1)O(2)-(1) ref:G9 14.Nov.97 -45200. -73800. 2.3 1.8118 -3.3572 7.0689 -2.6401 3.7588 -8.9825 1.5962 -1. Hg2+2 Hg2(+2) Hg2+2 Hg(2)+(2) ref:G9 13.Nov.97 36710. 39880. 15.71 4.0263 2.0479 4.9491 -2.8636 21.8090 -0.2234 0.8201 2. Hg(OH)2,AQ Hg(OH)2(0) Hg(OH)2(aq) Hg(1)O(2)H(2)+(0) ref:Bess 16.Jun.05 -65575.0 -83324.8 38.90 10.8247 18.6495 -1.5475 -3.55 16.0095 0.5098 -0.038 0. Hg(HS)2,AQ Hg(HS)2(0) Hg(HS)2(aq) Hg(1)H(2)S(2)+(0) ref:Bess 16.Jun.05 -9033.0 -13476.9 49.70 14.1279 26.7151 -4.7081 -3.8834 26.4159 4.1378 -0.038 0. HgS(HS)- HgS(HS)(-) HgS(HS)- Hg(1)S(2)H(1)-(1) ref:Bess 16.Jun.05 -668.0 -9178.6 36.06 10.3118 17.3972 -1.0567 -3.4982 23.527 -0.4462 1.0756 -1. Hg,AQ Hg(0) Hg(aq) Hg(1)+(0) ref:Bess 16.Jun.05 8871.0 2979. -1.59 4.2842 2.6795 4.7106 -2.8898 63.0565 16.9619 -0.0536 0. Ho+2 Ho(+2) Ho+2 Ho(1)+(2) ref:G9 13.Nov.97 -96900. -94200. -4.3 0.0094 -7.7516 8.7810 -2.4584 9.9946 -5.2956 1.1216 2. Ho+3 Ho(+3) Ho+3 Ho(1)+(3) ref:G9 07.Nov.97 -161400. -169000. -54.3 -3.1198 -15.3992 11.8026 -2.1424 8.6686 -9.8178 2.3899 3. Ho+4 Ho(+4) Ho+4 Ho(1)+(4) ref:G9 13.Nov.97 -30500. -48300. -104.2 -4.3164 -18.3144 12.9330 -2.0218 39.9963 -3.2789 3.7484 4. I- I(-) I- I(1)-(1) ref:G9 07.Nov.97 -12410. -13600. 25.50 7.7623 8.2762 1.4609 -3.1211 -6.27 -4.944 1.2934 -1. I3- I3(-) I3- I(3)-(1) ref:2 12.Jul.87 -12300. -12300. 57.200 9.8500 16.2697 -0.6447 -3.4516 20.8712 -0.3661 0.7628 -1. HIO,AQ HIO(0) HIO(AQ) H(1)I(1)O(1)+(0) ref:G9 13.Nov.97 -23700. -33000. 22.8 3.8979 1.7354 5.0694 -2.8506 0.7260 -4.9085 -0.0053 0. IO- IO(-) IO- I(1)O(1)-(1) ref:G9 13.Nov.97 -9200. -25700. -1.4 0.6131 -6.2757 8.1983 -2.5195 1.1172 -10.0825 1.6530 -1. IO3- IO3(-) IO3- I(1)O(3)-(1) ref:G9 07.Nov.97 -30600. -52900. 28.3 5.7148 6.1725 3.3240 -3.0342 7.7293 -6.3345 1.2002 -1. IO4- IO4(-) IO4- I(1)O(4)-(1) ref:G9 13.Nov.97 -14000. -36200. 53.0 9.2831 14.8827 -0.0933 -3.3942 12.6081 -3.4419 0.8264 -1. ISOLEUCINE,AQ C6H13NO2 ILE(AQ) C(6)H(13)O(2)N(1)+(0) ref:PC1 29.Nov.06 -81990. -151600. 49.70 24.49 6.55 18.16 -7.76 99.7 -3.60 0.09 0. In+3 In(+3) In+3 In(1)+(3) ref:G9 11.Nov.97 -23400. -25000. -63.0 -2.2361 -13.2378 10.9433 -2.2316 20.3744 -6.2122 2.5346 3. InOH+2 InOH(+2) InOH+2 In(1)O(1)H(1)+(2) ref:G9 13.Nov.97 -74600. -94700. -44.7 2.0372 -2.8058 6.8493 -2.6629 30.2531 -0.2234 1.7366 2. InO+ InO(+1) InO+ In(1)O(1)+(1) ref:G9 13.Nov.97 -69400. -76900. -2.6 2.5804 -1.4833 6.3385 -2.7176 -22.2654 -14.8084 0.5907 1. HInO2,AQ HInO2(0) HInO2(AQ) H(1)In(1)O(2)+(0) ref:G9 13.Nov.97 -119800. -135100. 27.2 4.2864 2.6831 4.6987 -2.8898 -44.5111 -20.5527 -0.0300 0. InO2- InO2(-1) InO2- In(1)O(2)-(1) ref:G9 13.Nov.97 -106700. -125300. 15.9 4.3832 2.9224 4.5983 -2.8997 -20.4685 -16.7435 1.3901 -1. K+ K(+) K+ K(1)+(1) ref:G9 06.Nov.97 -67510. -60270. 24.15 3.5590 -1.4730 5.4350 -2.712 7.40 -1.791 0.1927 1. KBr,AQ KBr(0) KBr(AQ) K(1)Br(1)+(0) ref:5 18.Sep.97 -90010. -86320. 47.5 8.058 11.897 1.067 -3.2708 1.4496 -4.658 -0.005 0. KCl,AQ KCl(0) KCl(AQ) K(1)Cl(1)+(0) ref:5 18.Sep.97 -95430. -95390. 42.25 6.9932 9.297 2.0889 -3.1633 0.9522 -4.7253 -0.038 0. KHSO4,AQ KHSO4(0) KHSO4(AQ) K(1)H(1)S(1)O(4)+(0) ref:5 2.Oct.97 -243400. -267400. 55. 9.1226 14.4964 0.0453 -3.3782 39.9849 8.723 -0.001 0. KI,AQ KI(0) KI(AQ) K(1)I(1)+(0) ref:5 18.Sep.97 -77740. -71829. 49.2 9.8369 16.2406 -0.6402 -3.4503 2.7214 -4.216 -0.005 0. KOH,AQ KOH(0) KOH(AQ) K(1)O(1)H(1)+(0) ref:G9 13.Nov.97 -104500. -120200. 25.9 3.7938 1.4839 5.1619 -2.8402 -6.1240 -7.2104 -0.0300 0. KSO4- KSO4(-) KSO4- K(1)S(1)O(4)-(1) ref:5 18.Sep.97 -246640. -276980. 35. 5.9408 6.7274 3.0989 -3.0571 9.9089 -5.2549 1.0996 -1. Kr,AQ Kr(0) Kr(AQ) Kr(1)+(0) ref:3 13.Jul.87 3554. -3650. 15.060 6.2721 7.5333 2.7891 -3.0904 37.8226 8.6985 -0.2281 0. LACTATE,AQ C3H5O3- lac8 C(3)H(5)O(3)-(1) ref:G6 17.JUN.92 -122530. -164070. 31.900 9.8498 12.8244 8.0990 -3.3091 44.9518 -3.7823 1.1469 -1. LACTIC-ACID,AQ C3H6O3 lacac C(3)H(6)O(3)+(0) ref:G6 16.JUN.92 -127800. -164000. 49.800 11.1720 17.2432 3.8083 -3.4917 61.0199 1.6290 -0.2572 0. LEUCINE,AQ C6H13NO2 LEU(AQ) C(6)H(13)O(2)N(1)+(0) ref:PC1 29.Nov.06 -84200. -153600. 50.41 24.68 7.51 19.93 -8.37 102.7 -3.30 0.09 0. La+3 La(+3) La+3 La(1)+(3) ref:G9 07.Nov.97 -164000. -169600. -52.0 -2.7880 -14.3824 10.9602 -2.1844 4.2394 -10.6122 2.1572 3. Li+ Li(+) Li+ Li(1)+(1) ref:G9 06.Nov.97 -69933. -66552. 2.70 -0.0237 -0.0690 11.5800 -2.7761 19.2 -0.24 0.4862 1. LiCl,AQ LiCl(0) LiCl(AQ) Li(1)Cl(1)+(0) ref:5 18.Sep.97 -99250. -105680. 13.14 5.5837 5.8554 3.4416 -3.021 17.7136 1.1006 -0.038 0. LiOH,AQ LiOH(0) LiOH(AQ) Li(1)O(1)H(1)+(0) ref:G9 13.Nov.97 -108000. -121500. 1.9 2.2749 -2.2242 6.6181 -2.6870 9.8752 -1.6493 -0.0300 0. Lu+3 Lu(+3) Lu+3 Lu(1)+(3) ref:G9 07.Nov.97 -159400. -167900. -63.1 -3.5630 -16.4812 12.2279 -2.0977 9.5650 -9.7160 2.4554 3. Lu+4 Lu(+4) Lu+4 Lu(1)+(4) ref:G9 13.Nov.97 27000. 9800. -108.0 -4.3487 -18.3921 12.9608 -2.0186 39.9042 -3.5234 3.8147 4. LYSINE,AQ C6H14N2O2 LYS(AQ) C(6)H(14)O(2)N(2)+(0) ref:PC1 29.Nov.06 -80680. -159330. 57.91 24.56 8.30 24.43 -9.53 86.6 -10.90 0.07 0. LYSINE+,AQ C6H15N2O2+ LYS+ C(6)H(15)O(2)N(2)+(1) ref:PC1 29.Nov.06 -92890. -170370. 61.82 28.62 -1.51 4.47 -3.99 95.2 -8.00 1.21 1. LYSINE-,AQ C6H13N2O2- LYS- C(6)H(13)O(2)N(2)-(1) ref:PC1 29.Nov.06 -66.310. -146340. 53.27 28.29 10.53 2.97 -7.61 133.7 -18.00 2.67 -1. m-TOLUATE,AQ C8H7O2- M-TOL8- C(8)H(7)O(2)-(1) REF:G6 28.FEB.92 -52150. -95350. 39.900 15.8115 29.1099 -2.0100 -3.9823 96.2963 -3.1302 1.0242 -1. m-TOLUIC-ACID,AQ C8H8O2 M-TOLAC C(8)H(8)O(2)+(0) REF:G6 28.FEB.92 -57960. -95450. 59.300 16.9981 31.7988 -2.6205 -4.0935 105.7976 7.0926 -0.1942 0. MALONATE,AQ C3H2O4-2 Mal-2 C(3)H(2)O(4)-(2) REF:G6 17.JUN.92 -163760. -209000. 12.800 8.0442 11.5030 1.9943 -3.2544 -27.6299 -4.8985 3.0192 -2. MALONIC-ACID,AQ C3H4O4 MALAC C(3)H(4)O(4)+(0) REF:G6 28.FEB.92 -175420. -207870. 55.700 10.8349 17.8340 0.5436 -3.5162 38.7620 -1.1670 -0.2181 0. METHANAMINE,AQ CH3NH2 MEAM(AQ) C(1)H(5)N(1)+(0) ref:4 4.Sep.87 5040. -16320. 30.500 7.4547 6.7824 10.8884 -3.0593 39.0324 -1.5527 -0.1219 0. METHANE,AQ CH4 CH4(aq) C(1)H(4)+(0) ref:G18 04.Oct.00 -8140. -20930. 21.0 17.69 -15.30 -67.88 11.47 40.87 6.45 -0.40 0. METHANOL,AQ CH3OH MEOH(aq) C(1)H(4)O(1)+(0) ref:G18 04.Oct.00 -42020. -58880. 31.8 8.37 4.06 -0.24 -1.43 34.42 0.96 -0.15 0. METHIONINE,AQ C5H11NO2S MET(AQ) C(5)H(11)O(2)N(1)S(1)+(0) ref:PC1 29.Nov.06 -120120. -178520. 62.36 24.95 6.90 13.59 -7.77 85.3 -6.60 0.13 0. Mg(CO3),AQ Mg(CO3)(0) Mg(CO3)(AQ) Mg(1)C(1)O(3)+(0) ref:5 JAN.91 -238760. -270570. -24.000 -0.545 -9.113 9.332 -2.402 -10.499 -8.706 -0.038 0. Mg(HCO3)+ Mg(HCO3)(+) Mg(HCO3)+ Mg(1)H(1)C(1)O(3)+(1) ref:G7A JAN.91 -250200. -275750. -3.000 3.271 0.206 5.669 -2.788 47.284 9.340 0.599 1. Mg+2 Mg(+2) Mg+2 Mg(1)+(2) ref:G9 06.Nov.97 -108505. -111367. -33.00 -0.8217 -8.5990 8.3900 -2.390 20.80 -5.892 1.5372 2. MgCl+ MgCl(+) MgCl+ Mg(1)Cl(1)+(1) ref:5 18.Sep.97 -139700. -150933. -19. 2.223 -2.3505 6.6669 -2.6818 28.6016 2.058 0.8449 1. MgF+ MgF(+) MgF+ Mg(1)F(1)+(1) ref:5 18.Sep.97 -177690. -190950. -28.07 -0.2975 -8.5049 9.0858 -2.4274 38.0239 4.9301 0.9706 1. MgOH+ MgOH(+) MgOH+ Mg(1)O(1)H(1)+(1) ref:G9 13.Nov.97 -149255. -152955. -19.1 2.3105 -2.1365 6.5827 -2.6906 32.0008 3.2394 0.8449 1. Mn+2 Mn(+2) Mn+2 Mn(1)+(2) ref:G9 07.Nov.97 -55100. -52900. -16.2 -0.1015 -8.0040 8.8400 -2.4480 16.6672 -3.8697 1.4006 2. Mn+3 Mn(+3) Mn+3 Mn(1)+(3) ref:G9 13.Nov.97 -20300. -30700. -74. -2.9320 -14.9340 11.6041 -2.1615 16.0611 -8.2492 2.7025 3. MnCl+ MnCl(+) MnCl+ Mn(1)Cl(1)+(1) ref:5 2.Oct.97 -86290. -88280. 12. 2.8119 -0.9126 6.1017 -2.7412 24.2838 2.0824 0.3686 1. MnOH+ MnOH(+1) MnOH+ Mn(1)O(1)H(1)+(1) ref:G9 13.Nov.97 -97300. -106800. 0.3 0.3213 -6.9901 8.4821 -2.4899 16.2994 -1.2623 0.5464 1. MnO,AQ MnO(+0) MnO(AQ) Mn(1)O(1)+(0) ref:G9 13.Nov.97 -81500. -99100. -2.5 -0.0376 -7.8656 8.8229 -2.4537 -1.5528 -5.6215 -0.0300 0. HMnO2- HMnO2(-1) HMnO2- H(1)Mn(1)O(2)-(1) ref:G9 13.Nov.97 -121000. -149900. -9.1 1.0354 -5.2480 7.8003 -2.5619 20.5255 -3.7067 1.7685 -1. MnO2-2 MnO2(-2) MnO2-2 Mn(1)O(2)-(2) ref:G9 13.Nov.97 -102600. -133300. -15.2 1.1489 -4.9713 7.6937 -2.5734 -4.0375 -17.5991 3.4408 -2. MnO4- MnO4(-) MnO4- Mn(1)O(4)-(1) ref:G9 07.Nov.97 -107600. -129900. 46.5 7.8248 11.3277 1.2912 -3.2472 13.6317 -3.4012 0.9248 -1. MnO4-2 MnO4(-2) MnO4-2 Mn(1)O(4)-(2) ref:G9 13.Nov.97 -120400. -156600. 15.5 5.6596 6.0368 3.3786 -3.0285 -5.2910 -16.5602 2.9803 -2. MnSO4,AQ MnSO4(0) MnSO4(AQ) Mn(1)S(1)O(4)+(0) ref:5 2.Oct.97 -235640. -266750. 5. 2.1354 -2.5645 6.751 -2.6729 -6.2564 -7.2308 -0.038 0. HMoO4- HMoO4(-1) HMoO4- H(1)Mo(1)O(4)-(1) ref:G9 13.Nov.97 -206400. -238500. 32.5 7.7320 11.0966 1.3908 -3.2376 33.3930 2.7912 1.1359 -1. MoO4-2 MoO4(-2) MoO4-2 Mo(1)O(4)-(2) ref:G9 07.Nov.97 -200400. -238300. 9. 6.9651 2.7095 18.6617 -2.8909 6.6829 -12.7102 3.0777 -2. N-BUTANE,AQ C4H10 n-BUT(AQ) C(4)H(10)+(0) ref:4 31.Aug.87 36. -36230. 40.020 12.8905 23.6960 -3.5683 -3.7585 79.0569 24.2408 -0.6061 0. BUTANOATE,AQ C4H7O2- BUT8 C(4)H(7)O(2)-(1) REF:G6 17.JUN.92 -84650. -128630. 31.800 11.7724 17.0492 7.4458 -3.4837 62.3135 -3.5666 1.1469 -1. N-BUTYLBENZENE,AQ C6H5C4H9 n-BUBN(AQ) C(10)H(14)+(0) ref:4 31.Aug.87 36110. -13820. 63.00 22.4936 44.2553 -5.4521 -4.6084 132.7179 10.3925 -0.1697 0. N-HEPTANE,AQ C7H16 n-HEPT(AQ) C(7)H(16)+(0) ref:4 31.Aug.87 6470. -52950. 60.000 19.2745 39.2810 -9.6879 -4.4028 112.8980 36.9721 -0.9086 0. N-HEPTYLBENZENE,AQ C6H5C7H15 n-HPBN(AQ) C(13)H(20)+(0) ref:4 2.Sep.87 43350. -123420. 83.100 28.8881 58.7499 -8.7498 -5.2076 174.9459 15.4610 -0.0364 0. N-HEXANE,AQ C6H14 HEX(aq) C(6)H(14)+(0) REF:G18 04.Oct.00 4600. -47490. 52.900 45.65 -4.78 -124.04 2.87 108.270 22.9400 -0.4700 0. N-HEXYLBENZENE,AQ C6H5C6H13 n-HXBN(AQ) C(12)H(18)+(0) ref:4 2.Sep.87 40880. -24990. 76.400 26.6289 53.6288 -7.5847 -4.9959 160.8699 13.7715 -0.0809 0. N-OCTANE,AQ C8H18 n-OCT(AQ) C(8)H(18)+(0) ref:4 31.Aug.87 8580. -59410. 63.800 21.4171 44.5126 -11.7437 -4.6191 124.7924 41.2905 -0.9662 0. N-OCTYLBENZENE,AQ C6H5C8H17 n-OCBN(AQ) C(14)H(22)+(0) ref:4 2.Sep.87 45400. -138400. 89.800 31.1472 63.8712 -9.9148 -5.4193 189.0220 17.1504 0.0080 0. N-PENTANE,AQ C5H12 n-PENT(AQ) C(5)H(12)+(0) ref:4 31.Aug.87 2130. -41560. 47.500 15.0143 28.8771 -5.5949 -3.9727 89.2070 28.1315 -0.7193 0. N-PENTYLBENZENE,AQ C6H5C5H11 n-PEBN(AQ) C(11)H(16)+(0) ref:4 2.Sep.87 38790. -19400. 69.700 24.3697 48.5078 -6.4198 -4.7842 146.7939 12.0820 -0.1253 0. N-PROPYLBENZENE,AQ C6H5C3H7 n-PRBN(AQ) C(9)H(12)+(0) ref:4 31.Aug.87 34370. -8630. 55.300 20.1912 39.0352 -4.2632 -4.3926 123.7758 9.3452 -0.208 0. N2,AQ N2(0) N2(AQ) N(2)+(0) ref:3 7.Feb.89 4347. -2495. 22.900 6.2046 7.3685 2.8539 -3.0836 35.7911 8.3726 -0.3468 0. NH3,AQ NH3(0) NH3(AQ) N(1)H(3)+(0) ref:3 13.Jul.87 -6383. -19440. 25.770 5.0911 2.7970 8.6248 -2.8946 20.3000 -1.1700 -0.0500 0. NH4+ NH4(+) NH4+ N(1)H(4)+(1) ref:G9 06.Nov.97 -18990. -31850. 26.57 3.8763 2.3448 8.5605 -2.8759 17.45 -0.021 0.1502 1. NO2- NO2(-) NO2- N(1)O(2)-(1) ref:G9 06.Nov.97 -7700. -25000. 29.4 5.5864 5.8590 3.4472 -3.0212 3.4260 -7.7808 1.1847 -1. NO3- NO3(-) NO3- N(1)O(3)-(1) ref:G9 06.Nov.97 -26507. -49429. 35.12 7.3161 6.7824 -4.6838 -3.0594 7.70 -6.725 1.0977 -1. NONANOATE,AQ C9H17O2- N-NON8- C(9)H(17)O(2)-(1) REF:G6 28.FEB.92 -74770. -156990. 65.400 22.3974 44.0392 -5.4082 -4.5995 164.0445 -2.2443 0.6387 -1. NONANOIC-ACID,AQ C9H18O2 NOAC C(9)H(18)O(2)+(0) REF:G6 28.FEB.92 -81220. -156530. 89.600 24.0995 47.8926 -6.2728 -4.7588 160.8768 13.6727 0.0066 0. Na+ Na(+) Na+ Na(1)+(1) ref:G9 06.Nov.97 -62591. -57433. 13.96 1.8390 -2.2850 3.2560 -2.726 18.18 -2.981 0.3306 1. NaBr,AQ NaBr(0) NaBr(AQ) Na(1)Br(1)+(0) ref:5 18.Sep.97 -85610. -84830. 34.1 6.1257 7.1789 2.9214 -3.0757 10.1926 -1.4111 -0.07 0. NaCl,AQ NaCl(0) NaCl(AQ) Na(1)Cl(1)+(0) ref:5 16.Sep.97 -92910. -96160. 28. 5.0364 4.5189 3.9669 -2.9658 10.798 -1.3031 -0.038 0. NaF,AQ NaF(0) NaF(AQ) Na(1)F(1)+(0) ref:5 18.Sep.97 -128570. -135860. 12. 2.5336 -1.5922 6.3689 -2.7131 12.3804 -0.7531 -0.038 0. NaHSiO3,AQ NaHSiO3(0) NaHSiO3(AQ) Na(1)H(1)Si(1)O(3)+(0) ref:5 2.Oct.97 -307890. -333894. 10. 3.4928 0.75 5.4483 -2.81 20.2395 1.9785 -0.038 0. NaI,AQ NaI(0) NaI(AQ) Na(1)I(1)+(0) ref:5 JAN.91 -72900. -69101. 37.7 7.6488 10.8979 1.4597 -3.2295 12.1001 -0.969 -0.001 0. NaOH,AQ NaOH(0) NaOH(AQ) Na(1)O(1)H(1)+(0) ref:G9 13.Nov.97 -99900. -112300. 10.7 2.2338 -2.3287 6.6683 -2.6826 4.0146 -3.6863 -0.0300 0. Nd+2 Nd(+2) Nd+2 Nd(1)+(2) ref:G9 13.Nov.97 -100200. -96100. -0.5 0.0860 -7.5654 8.7097 -2.4661 9.0616 -5.4382 1.0649 2. Nd+3 Nd(+3) Nd+3 Nd(1)+(3) ref:G9 07.Nov.97 -160600. -166500. -49.5 -3.3707 -14.5452 8.3211 -2.1777 1.6236 -11.8344 2.2550 3. Nd+4 Nd(+4) Nd+4 Nd(1)+(4) ref:G9 13.Nov.97 -47000. -62900. -98.7 -4.2742 -18.2128 12.8958 -2.0260 40.2772 -2.9327 3.6707 4. Ne,AQ Ne(0) Ne(AQ) Ne(1)+(0) ref:3 13.Jul.87 4565. -870. 16.740 4.4709 3.1352 4.5177 -2.9086 27.0977 5.0523 -0.2535 0. Ni+2 Ni(+2) Ni+2 Ni(1)+(2) ref:G9 07.Nov.97 -10900. -12900. -30.8 -1.6942 -11.9181 10.4344 -2.2863 13.1905 -5.4179 1.5067 2. NiCl+ NiCl(+) NiCl+ Ni(1)Cl(1)+(1) ref:5 16.Sep.97 -40920. -51400. -17. 1.1319 -5.0147 7.714 -2.5716 18.3863 -1.3846 0.8111 1. NiOH+ NiOH(+) NiOH+ Ni(1)O(1)H(1)+(1) ref:G9 13.Nov.97 -52850. -67650. -18. -0.7075 -9.5051 9.4760 -2.3860 31.9091 3.2801 0.8222 1. NiO,AQ NiO(0) NiO(AQ) Ni(1)O(1)+(0) ref:G9 13.Nov.97 -39340. -56230. 25. -1.4334 -11.2786 10.1751 -2.3126 11.7507 -0.9975 -0.0300 0. HNiO2- HNiO2(-1) HNiO2- H(1)Ni(1)O(2)-(1) ref:G9 13.Nov.97 -81980. -118760. -36. -0.8143 -9.7619 9.5688 -2.3753 54.2564 6.7430 2.1664 -1. NiO2-2 NiO2(-2) NiO2-2 Ni(1)O(2)-(2) ref:G9 13.Nov.97 -64200. -101800. -38.9 -0.4814 -8.9493 9.2495 -2.4089 30.9114 -6.5993 3.7992 -2. o-TOLUATE,AQ C8H7O2- O-TOL8- C(8)H(7)O(2)-(1) REF:G6 28.FEB.92 -49440. -94070. 35.100 15.8364 29.1695 -2.0312 -3.9848 103.7040 -3.0466 1.0977 -1. o-TOLUIC-ACID,AQ C8H8O2 O-TOLAC C(8)H(8)O(2)+(0) REF:G6 17.JUN.92 -54770. -92640. 57.900 16.9949 31.7947 -2.6262 -4.0933 102.8349 6.7369 -0.2035 0. O2,AQ O2(0) O2(AQ) O(2)+(0) ref:3 26.Jun.87 3954. -2900. 26.040 5.7889 6.3536 3.2528 -3.0417 35.3530 8.3726 -0.3943 0. OCTANE,AQ C8H18 OCT(AQ) C(8)H(18)+(0) REF:4 15.JAN.93 8580. -59410. 63.800 21.4171 44.5126 -11.7437 -4.6191 124.7924 41.2905 -0.9662 0. OCTANOATE,AQ C8H15O2- N-OCT8- C(8)H(15)O(2)-(1) REF:G6A 2.Jun.98 -76770. -151580. 58.700 20.3271 39.3469 -4.3421 -4.4055 140.0102 -2.5545 0.7402 -1. OCTANOIC-ACID,AQ C8H16O2 OCAC(AQ) C(8)H(16)O(2)+(0) REF:G6 6.MAR.92 -83450. -151050. 82.900 21.9224 42.9621 -5.1613 -4.5550 143.5241 11.5781 -0.0378 0. OH- OH(-) OH- O(1)H(1)-(1) ref:G9 06.Nov.97 -37595. -54977. -2.56 1.2527 0.0738 1.8423 -2.7821 4.15 -10.346 1.7246 -1. OXALATE,AQ C2O4-2 Ox-2 C(2)O(4)-(2) REF:G6 17.JUN.92 -161100. -197200. 10.900 6.9414 9.6716 0.8669 -3.1787 -10.7618 -18.6787 3.0480 -2. OXALIC-ACID,AQ C2H2O4 OXAC C(2)H(2)O(4)+(0) REF:G6 28.FEB.92 -168640. -194580. 44.000 8.4291 12.3793 1.7866 -3.2907 25.4994 -2.7181 -0.2957 0. p-TOLUATE,AQ C8H7O2- p-TOL8- C(8)H(7)O(2)-(1) REF:G6 28.FEB.92 -52480. -96160. 38.300 15.8201 29.1311 -2.0189 -3.9832 81.8997 -3.3120 1.0496 -1. p-TOLUIC-ACID,AQ C8H8O2 p-TOLAC C(8)H(8)O(2)+(0) REF:G6 17.JUN.92 -58440. -96190. 58.300 16.9958 31.7924 -2.6157 -4.0932 91.1907 5.2944 -0.2009 0. PENTANE,AQ C5H12 PENT(AQ) C(5)H(12)+(0) REF:4 15.JAN.93 2130. -41560. 47.500 15.0143 28.8771 -5.5949 -3.9727 89.2070 28.1315 -0.7193 0. PENTANOATE,AQ C5H9O2- N-PEN8- C(5)H(9)O(2)-(1) REF:G6 17.JUN.92 -82630. -134380. 38.300 13.9304 24.8456 -1.0403 -3.8060 86.5816 -3.2539 1.0496 -1. PENTANOIC-ACID,AQ C5H10O2 PEAC(AQ) C(5)H(10)O(2)+(0) REF:G6 6.MAR.92 -89240. -133690. 62.800 15.4596 28.3156 -1.8374 -3.9495 91.0659 5.2450 -0.1710 0. PHENOL,AQ C6H5OH PHOL(AQ) C(6)H(6)O(1)+(0) ref:G10 20.Nov.97 -12215. -36320. 45.5 13.4599 23.7816 -0.7952 -3.7620 67.7515 2.3700 -0.2857 0. PHENYLALANINE,AQ C9H11NO2 PHE(AQ) C(9)H(11)O(2)N(1)+(0) ref:PC1 29.Nov.06 -49430. -108900. 56.60 28.27 8.80 19.34 -9.38 108.1 -6.50 0.12 0. PIMELATE,AQ C7H10O4-2 pim-2 C(7)H(10)O(4)-(2) ref:G6 16.JUN.92 -158860. -234960. 39.600 16.8882 31.5501 -2.5641 -4.0832 26.7751 -4.1762 2.6147 -2. PIMELIC-ACID,AQ C7H12O4 PIMAC C(7)H(12)O(4)+(0) ref:G6A 2.Jun.98 -172380. -233789. 89.100 19.8194 38.1932 -4.0727 -4.3578 88.4361 4.7214 0.0033 0. PO4-3 PO4(-3) PO4-3 P(1)O(4)-(3) ref:G9 07.Nov.97 -243500. -305300. -53.0 -0.5258 -9.0576 9.2927 -2.4045 -15.1599 -28.4155 5.6114 -3. PROLINE,AQ C5H9NO2 PRO(AQ) C(5)H(9)O(2)N(1)+(0) ref:PC1 29.Nov.06 -73560. -124100. 49.83 19.39 4.87 11.88 -5.68 63.6 -9.50 0.14 0. PROPANE,AQ C3H8 PRP(AQ) C(3)H(8)+(0) ref:4 31.Aug.87 -1963. -30490. 33.350 10.7680 17.6785 -0.5878 -3.5097 84.5460 4.6332 -0.1650 0. PROPANAMINE,AQ C3H7NH2 PRAM(AQ) C(3)H(9)N(1)+(0) ref:G9 18.MAR.97 7010. -30680. 40.800 11.8178 15.5013 11.6113 -3.4197 72.9633 1.2188 -0.2779 0. PROPANOATE,AQ C3H5O2- PRO- C(3)H(5)O(2)-(1) REF:G6 28.FEB.92 -86780. -122630. 26.500 9.6992 12.1344 9.0612 -3.2805 52.3000 -4.2000 1.2276 -1. PROPANOIC-ACID,AQ C3H6O2 PRAC(AQ) C(3)H(6)O(2)+(0) REF:G6 6.MAR.92 -93450. -122470. 49.400 11.0057 18.7077 -0.7792 -3.5523 62.9700 -1.1900 -0.1500 0. PROPANOL,AQ C3H7OH l-PROL(AQ) C(3)H(8)O(1)+(0) ref:4 24.jan.96 -41910. -75320. 41.400 11.3426 14.3252 12.1079 -3.3711 78.3142 1.6447 -0.2869 0. Pb+2 Pb(+2) Pb+2 Pb(1)+(2) ref:G9 06.Nov.97 -5710. 220. 4.2 -0.0051 -7.7939 8.8134 -2.4568 8.6624 -5.6216 1.0788 2. PbCl+ PbCl(+) PbCl+ Pb(1)Cl(1)+(1) ref:5 16.Sep.97 -39050. -38630. 28. 2.9756 -0.513 5.9446 -2.7577 10.2182 -2.0364 0.1281 1. PbCl2,AQ PbCl2(0) PbCl2(AQ) Pb(1)Cl(2)+(0) ref:5 16.Sep.97 -71200. -77700. 47.000 6.6429 8.4416 2.4251 -3.1279 6.9886 -2.6272 -0.038 0. PbCl3- PbCl3(-) PbCl3- Pb(1)Cl(3)-(1) ref:5 16.Sep.97 -102150. -117700. 59. 11.0547 19.2141 -1.8089 -3.5733 5.9698 -5.4586 0.7356 -1. PbCl4-2 PbCl4(-2) PbCl4-2 Pb(1)Cl(4)-(2) ref:5 2.Oct.97 -133177. -159209. 66. 16.1777 31.723 -6.7255 -4.0904 5.9335 -10.2007 2.2126 -2. PbOH+ PbOH(+) PbOH+ Pb(1)O(1)H(1)+(1) ref:G9 13.Nov.97 -53950. -68900. -10. 2.4669 -1.7600 6.4461 -2.7061 0.8970 -7.1085 0.7003 1. PbO,AQ PbO(0) PbO(AQ) Pb(1)O(1)+(0) ref:G9 13.Nov.97 -39350. -44700. 22. 2.8906 -0.7236 6.0351 -2.7490 -18.7244 -11.5899 -0.0300 0. HPbO2- HPbO2(-1) HPbO2- H(1)Pb(1)O(2)-(1) ref:G9 13.Nov.97 -81000. -104200. 18. 4.4403 3.0599 4.5482 -2.9054 -22.3600 -17.2935 1.3566 -1. Pd(OH)+ Pd(OH)+ Pd(OH)+ Pd(1)O(1)H(1)+(1) ref:G12 13.jul.95 -13130. -24120. -3.4 0.1226 -7.4741 8.6697 -2.4699 19.2537 -0.4271 0.6063 1. PdSO4,AQ Pd(SO4)(AQ) Pd(SO4)(AQ) Pd(1)S(1)O(4)+(0) ref:G12 14.APR.92 -139000. -173450. -0.90 2.3022 -2.1585 6.5951 -2.6897 -5.8662 -7.1207 -0.0300 0. Pd(SO4)2-2 Pd(SO4)2-(2) Pd(SO4)2-2 Pd(1)S(2)O(8)-(2) ref:G12 14.apr.95 -319640. -388900. 19.20 6.5020 8.0916 2.5759 -3.1134 12.9271 -10.0418 2.9221 -2. Pd(SO4)3-4 Pd(SO4)3-4 Pd(SO4)3-4 Pd(1)S(3)O(12)-(4) ref:G12 28.jul.94 -499900. -603950. 39.400 10.7074 18.3646 -1.4712 -3.5381 32.1909 -12.8528 5.8910 -4. Pd+2 Pd+2 Pd+2 Pd(II)ion ref:G12 9.APR.92 42200. 42540. -21.100 -0.3631 -8.6602 9.1359 -2.4209 17.1907 -4.1915 1.5579 2. PdCl+ PdCl+ PdCl+ Pd(1)Cl(1)+(1) ref:G12 25.jul.94 2500. -4920. -3.9 2.6729 -1.2577 6.2503 -2.7269 24.1532 1.2501 0.6143 1. PdCl2,AQ PdCl2(AQ) PdCl2(AQ) Pd(1)Cl(2)+(0) ref:G12 25.jul.94 -35160. -52460. 4.2 6.1933 7.3404 2.8664 -3.0824 28.0429 4.6650 -0.0300 0. PdCl3- PdCl3- PdCl3- Pd(1)Cl(3)-(1) ref:G12 25.jul.94 -69810. -100200. 2.5 10.9057 18.8497 -1.6645 -3.5581 46.9452 6.0491 1.5895 -1. PdCl4-2 PdCl4-2 PdCl4-2 Pd(1)Cl(4)-(2) ref:G12 14.apr.95 -103900. -151160. -11.70 16.1552 31.6662 -6.6980 -4.0880 61.6845 5.4024 3.3914 -2. PdO,AQ PdO(AQ) PdO(AQ) Pd(1)O(1)+(0) ref:G12 14.APR.92 -11500. -24320. -9.500 -0.4755 -8.9398 9.2560 -2.4093 3.1356 -3.9919 -0.0300 0. Pr+2 Pr(+2) Pr+2 Pr(1)+(2) ref:G9 13.Nov.97 -92700. -88400. 0.7 0.1064 -7.5128 8.6835 -2.4683 8.7551 -5.4789 1.0444 2. Pr+3 Pr(+3) Pr+3 Pr(1)+(3) ref:G9 07.Nov.97 -162600. -168800. -50.0 -3.2061 -14.2894 8.5328 -2.1882 3.9607 -11.2844 2.3369 3. Pr+4 Pr(+4) Pr+4 Pr(1)+(4) ref:G9 13.Nov.97 -72700. -88700. -98.5 -4.2742 -18.2128 12.8958 -2.0260 40.3357 -2.9123 3.6707 4. Pt(OH)+ Pt(OH)+ Pt(OH)+ Pt(1)O(1)H(1)+(1) ref:G12 14.APR.92 1560. -10700. -6.7 -0.0659 -7.9350 8.8518 -2.4509 21.9365 0.3468 0.6557 1. PtSO4,AQ Pt(SO4)(AQ) Pt(SO4)(AQ) Pt(1)S(1)O(4)+(0) ref:G12 14.APR.95 -120300. -155850. -3.60 2.0253 -2.8370 6.8659 -2.6616 -6.6457 -7.3916 -0.0300 0. Pt(SO4)2-2 Pt(SO4)2-2 Pt(SO4)2-2 Pt(1)S(2)O(8)-(2) ref:G12 14.APR.95 -300670. -371080. 16.40 6.2770 7.5454 2.7833 -3.0908 12.5104 -10.3208 2.9641 -2. Pt(SO4)3-4 Pt(SO4)3-4 Pt(SO4)3-4 Pt(1)S(3)O(12)-(4) ref:G12 14.APR.95 -480380. -588630. 36.30 10.5204 17.9060 -1.2876 -3.5191 31.4399 -13.2501 5.9335 -4. Pt+2 Pt+2 Pt+2 Pt(1)+(2) ref:G12 9.apr.92 61600. 60900. -23.600 -0.6648 -9.3985 9.4293 -2.3904 16.8028 -4.4624 1.6005 2. PtCl+ PtCl+ PtCl+ Pt(1)Cl(1)+(1) ref:G12 14.apr.95 18380. 10030. -7.0 2.3363 -2.0793 6.5718 -2.6929 22.8210 0.6543 0.6557 1. PtCl2,AQ PtCl2(AQ) PtCl2(AQ) Pt(1)Cl(2)+(0) ref:G12 14.APR.95 -22290. -41110. 0.1 5.8026 6.3859 3.2424 -3.0429 24.6982 3.5025 -0.0300 0. PtCl3- PtCl3- PtCl3- Pt(1)Cl(3)-(1) ref:G12 14.APR.95 -57760. -90150. -3.1 10.4995 17.8547 -1.2658 -3.5170 42.0877 4.0842 1.6759 -1. PtCl4-2 PtCl4-2 PtCl4-2 Pt(1)Cl(4)-(2) ref:G12 14.APR.95 -91210. -141160. -19.8 15.7103 30.5792 -6.2700 -4.0430 54.1382 2.3994 3.5100 -2. PtO,AQ PtO(AQ) PtO(AQ) Pt(1)O(1)+(0) ref:G12 14.APR.92 -1130. -15300. -13.0 -0.6945 -9.4705 9.4567 -2.3874 5.4799 -3.1771 -0.0300 0. Ra+2 Ra(+2) Ra+2 Ra(1)+(2) ref:G9 11.Nov.97 -134200. -126100. 12.9 0.3740 -6.8598 8.4279 -2.4953 5.7496 -5.9474 0.8644 2. Rb+ Rb(+) Rb+ Rb(1)+(1) ref:G9 06.Nov.97 -67800. -60020. 28.8 4.2913 -0.9041 7.4070 -2.7416 5.7923 -3.6457 0.1502 1. RbBr,AQ RbBr(0) RbBr(AQ) Rb(1)Br(1)+(0) ref:5 18.Sep.97 -91010. -85730. 54.2 8.4668 12.8952 0.6747 -3.312 -5.172 -6.9436 -0.01 0. RbCl,AQ RbCl(0) RbCl(AQ) Rb(1)Cl(1)+(0) ref:5 18.Sep.97 -97870. -96800. 48.56 7.4542 10.4227 1.6465 -3.2098 -5.6468 -7.1086 -0.01 0. RbF,AQ RbF(0) RbF(AQ) Rb(1)F(1)+(0) ref:5 18.Sep.97 -136450. -139710. 31.6 4.3647 2.8788 4.6115 -2.898 -3.2196 -6.2938 -0.001 0. RbI,AQ RbI(0) RbI(AQ) Rb(1)I(1)+(0) ref:5 18.Sep.97 -78900. -71720. 56.3 10.5225 17.9145 -1.2982 -3.5195 -3.8174 -6.5015 -0.001 0. RbOH,AQ RbOH(0) RbOH(AQ) Rb(1)O(1)H(1)+(0) ref:G9 13.Nov.97 -105100. -113000. 32.0 4.5875 3.4168 4.4132 -2.9202 -10.2264 -8.6363 -0.0300 0. ReO4- ReO4(-) ReO4- Re(1)O(4)-(1) ref:G9 07.Nov.97 -166000. -188200. 48.1 8.6103 20.0581 -16.7541 -3.6081 18.93 -7.08 0.9004 -1 Rh(OH)+ Rh(OH)+ Rh(OH)+ Rh(1)O(1)H(1)+(1) ref:G12 25.jul.94 -18290. -34770. -12.6 -0.4074 -8.7688 9.1790 -2.4164 26.6834 1.7320 0.7384 1. RhOH+2 Rh(OH)+2 Rh(OH)+2 Rh(1)O(1)H(1)+(2) ref:G12 13.jul.95 -820. -14620. -32.5 2.2470 -2.2946 6.6503 -2.6840 20.3650 -3.0549 1.5475 2. RhSO4,AQ Rh(SO4)(AQ) Rh(SO4)(AQ) Rh(1)S(1)O(4)+(0) ref:G12 30.mar.95 -153500. -189800. -8.500 1.5195 -4.0640 7.3315 -2.6109 -8.0406 -7.8764 -0.0300 0. RhSO4+ Rh(SO4)+ Rh(SO4)+ Rh(1)S(1)O(4)+(1) ref:G12 30.mar.95 -127500. -167000. -35.100 -0.1264 -8.0823 8.9091 -2.4448 -9.9273 -12.1154 1.0890 1. Rh(SO4)2- Rh(SO4)2- Rh(SO4)2- Rh(1)S(2)O(8)-(1) ref:G12 30.mar.95 -306100. -375600. 1.400 3.7426 1.3560 5.2190 -2.8350 -13.5564 -15.0447 1.6098 -1. Rh(SO4)2-2 Rh(SO4)2-2 Rh(SO4)2-2 Rh(1)S(2)O(8)-(2) ref:G12 30.mar.95 -334100. -405300. 11.200 6.5508 8.2134 2.5221 -3.1184 11.8357 -10.8057 3.0422 -2. Rh(SO4)3-3 Rh(SO4)3-3 Rh(SO4)3-3 Rh(1)S(3)O(12)-(3) ref:G12 30.mar.95 -483700. -583100. 37.900 8.3237 12.5416 0.8232 -3.2974 2.2248 -17.9739 4.2376 -3. Rh(SO4)3-4 Rh(SO4)3-4 Rh(SO4)3-4 Rh(1)S(3)O(12)-(4) ref:G12 30.mar.95 -514100. -620300. 30.800 10.1823 17.0821 -0.9968 -3.4851 30.8559 -13.7349 6.0215 -4. Rh+2 Rh+2 Rh+2 Rh(II)ion ref:G12 14.apr.92 27700. 26400. -28.100 -1.2799 -10.9008 10.0202 -2.3283 14.2693 -4.9472 1.4769 2. Rh+3 Rh+3 Rh+3 Rh(III)ion ref:G9,G12 07.Nov.97 52450. 42830. -71.6 -3.2866 -15.8020 11.9492 -2.1256 13.0231 -9.1862 2.6654 3. RhCl+ RhCl+ RhCl+ Rh(1)Cl(1)+(1) ref:G12 14.apr.95 -3380. -12670. -12.7 1.7239 -3.5699 7.1476 -2.6313 20.4179 -0.4456 0.7384 1. RhCl+2 RhCl+2 RhCl+2 Rh(1)Cl(1)+(2) ref:G12 14.jul.94 18330. 2802. -49.1 -0.6015 -9.2461 9.3741 -2.3967 29.2962 -0.7512 1.7975 2. RhCl2,AQ RhCl2(AQ) RhCl2(AQ) Rh(1)Cl(2)+(0)(AQ) ref:G12 14.jul.94 -33970. -54250. -7.3 5.0891 4.6423 3.9309 -2.9708 18.5235 1.3563 -0.0300 0. RhCl2+ RhCl2+ RhCl2+ Rh(1)Cl(2)+(1) ref:G12 14.jul.94 -14780. -39850. -38.9 2.4942 -1.6943 6.4221 -2.7089 28.8698 1.2113 1.1383 1. RhCl3,AQ RhCl3(AQ) RhCl3(AQ) Rh(1)Cl(3)+(0) ref:G12 14.jul.94 -46190. -84690. -41.7 5.7968 6.3699 3.2526 -3.0422 5.1305 -3.2986 -0.0300 0. RhCl3- RhCl3- RhCl3- Rh(1)Cl(3)-(1) ref:G12 14.jul.94 -63530. -98200. -13.3 9.7552 16.0358 -0.5477 -3.4418 33.0316 0.4568 1.8257 -1. RhCl4- RhCl4- RhCl4- Rh(1)Cl(4)-(1) ref:G12 14.jul.94 -77500. -134200. -60.500 10.7848 18.5549 -1.5489 -3.5460 -2.7990 -14.2811 2.5390 -1. RhCl4-2 RhCl4-2 RhCl4-2 Rh(1)Cl(4)-(2) ref:G12 14.apr.95 -93250. -146780. -34.3 14.9002 28.6019 -5.4941 -3.9613 40.2495 -3.1444 3.7338 -2. RhO,AQ RhO(AQ) RhO(AQ) Rh(1)O(1)+(0) ref:G12 jul.94 -7220. -22540. -19.400 -1.0776 -10.4074 9.8276 -2.3487 9.7582 -1.6901 -0.0300 0. RhO+ RhO+ RhO+ Rh(1)O(1)+(1) ref:G12 25.jul.94 3140. -10010. -18.700 2.3067 -2.1515 6.6002 -2.6900 -9.3049 -11.0806 0.8334 1. Rn,AQ Rn(0) Rn(AQ) Rn(1)+(0) ref:3 13.Jul.87 2790. -5000. 16.000 9.0862 14.4045 0.0884 -3.3745 52.5774 13.8725 -0.2423 0. Ru(OH)+ Ru(OH)+ Ru(OH)+ Ru(1)O(1)H(1)+(1) ref:G12 12.jul.95 -10470. -26310. -10.6 -0.2940 -8.4918 9.0700 -2.4278 25.0701 1.2635 0.7096 1. RuOH+2 Ru(OH)+2 Ru(OH)+2 Ru(1)O(1)H(1)+(2) ref:G12 12.jul.95 -12190. -25620. -31.5 2.2708 -2.2384 6.6335 -2.6864 19.5665 -3.2993 1.5372 2. RuO4-2 RuO4-(2) RuO4-2 Ru(1)O(4)-(2) ref:G9 13.Nov.97 -71600. -110200. 6.6 6.9502 9.1887 2.1387 -3.1588 6.6707 -12.8325 3.1145 -1. RuSO4,AQ Ru(SO4)(AQ) Ru(SO4)(AQ) Ru(1)S(1)O(4)+(0) ref:G12 30.mar.95 -145200. -180800. -6.900 1.6881 -3.6571 7.1816 -2.6277 -7.5775 -7.7155 -0.0300 0. RuSO4+ Ru(SO4)+ Ru(SO4)+ Ru(1)S(1)O(4)+(1) ref:G12 30.mar.95 -139200. -178300. -34.300 0.3617 -6.8900 8.4395 -2.4941 -9.1937 -11.8099 1.0732 1. Ru(SO4)2- Ru(SO4)2- Ru(SO4)2- Ru(1)S(2)O(8)-(1) ref:G12 30.mar.95 -317900. -386900. 2.200 4.1644 2.3850 4.8162 -2.8775 -12.8031 -14.7391 1.5962 -1. Ru(SO4)2-2 Ru(SO4)2-2 Ru(SO4)2-2 RU(1)S(2)O(8)-(2) ref:G12 30.mar.95 -325400. -395900. 12.900 6.0041 6.8814 3.0404 -3.0634 12.0868 -10.6447 3.0192 -2. Ru(SO4)3-3 Ru(SO4)3-3 Ru(SO4)3-3 Ru(1)S(3)O(12)-(3) ref:G12 30.mar.95 -495200. -594200. 38.700 8.6782 13.4099 0.4753 -3.3333 2.9774 -17.6683 4.2239 -3. Ru(SO4)3-4 Ru(SO4)3-4 Ru(SO4)3-4 Ru(1)S(3)O(12)-(4) ref:G12 30.mar.95 -504800. -610200. 32.700 10.2946 17.3557 -1.0726 -3.4964 31.0613 -13.5739 5.9936 -4. Ru+2 Ru+2 Ru+2 Ru(II)ion ref:G12 9.APR.92 35900. 35250. -26.600 -1.0908 -10.4415 9.8445 -2.3472 14.5527 -4.7863 1.4574 2. Ru+3 Ru+3 Ru+3 Ru(III)ion ref:G12 9.APR.92 41440. 32270. -70.800 -2.7297 -14.4406 11.4109 -2.1819 17.2884 -7.6646 2.6532 3. RuCl+ RuCl+ RuCl+ Ru(1)Cl(1)+(1) ref:G12 14.jul.94 5210. -3320. -10.8 1.9308 -3.0699 6.9624 -2.6520 21.2945 -0.0789 0.7191 1. RuCl+2 RuCl+2 RuCl+2 Ru(1)Cl(1)+(2) ref:G12 25.jul.94 7100. -7900. -48.1 0.0193 -7.7277 8.7730 -2.4594 39.0719 2.6862 1.7851 2. RuCl2,AQ RuCl2 RuCl2(AQ) Ru(1)Cl(2)+(0) ref:G12 14.jul.94 -25060. -44400. -4.8 5.3270 5.2234 3.7011 -2.9948 20.5817 2.0717 -0.0300 0. RuCl2+ RuCl2+ RuCl2+ Ru(1)Cl(2)+(1) ref:G12 14.jul.94 -26440. -50940. -37.7 3.1850 -0.0035 5.7492 -2.7788 48.0114 7.9181 1.1216 1. RuCl3,AQ RuCl3(AQ) RuCl3(AQ) Ru(1)Cl(3)+(0) ref:G12 13.apr.95 -58560. -96380. -40.2 6.5729 8.2678 2.4997 -3.1207 37.7450 8.0372 -0.0300 0. RuCl3- RuCl3- RuCl3- Ru(1)Cl(3)-(1) ref:G12 13.apr.95 -54380. -87830. -9.9 10.0040 16.6444 -0.7897 -3.4670 36.0681 1.6659 1.7777 -1. RuCl4- RuCl4- RuCl4- Ru(1)Cl(4)-(1) ref:G12 13.apr.95 -89730. -145570. -58.4 11.6414 20.6412 -2.3578 -3.6322 46.8262 3.0435 2.5152 -1. RuCl4-2 RuCl4-2 RuCl4-2 Ru(1)Cl(4)-(2) ref:G12 14.jul.94 -83900. -135800. -29.4 15.1710 29.2590 -5.7435 -3.9885 44.8996 -1.2964 3.6615 -2. RuCl5-2 Ru(1)Cl(5)-(2) RuCl5-2 Ru(1)Cl(5)-(2) ref:G12 10.APR.92 -120700. -206955. -118.080 16.5035 32.5134 -7.0243 -4.1230 65.9216 1.7014 5.0070 -2. RuCl6-3 RuCl6-3 RuCl6-3 Ru(1)Cl(6)-(3) ref:G12 10.APR.92 -151540. -270805. -186.570 22.8140 47.9227 -13.0823 -4.7600 51.4456 -11.7651 7.6413 -3. RuO,AQ RuO(AQ) RuO(AQ) Ru(1)O(1)+(0) ref:G12 13.apr.95 230. -14260. -17.3 -0.9545 -10.1059 9.7076 -2.3611 8.3516 -2.1790 -0.0300 0. RuO+ RuO+ RuO+ Ru(1)O(1)+(1) ref:G12 25.jul.94 -10450. -23050. -17.5 2.3302 -2.0945 6.5792 -2.6923 -10.2289 -11.3658 0.8222 1. S2-2 S2(-2) S2-2 S(2)-(2) ref:2 3.Jul.87 19000. 7200. 6.800 5.5797 5.8426 3.4536 -3.0205 -3.3496 -16.2955 3.1083 -2. S2O3-2 S2O3(-2) S2O3-2 S(2)O(3)-(2) ref:G9 07.Nov.97 -124900. -155000. 16.0 6.6685 12.4951 -7.7281 -3.2955 -0.0577 -14.7066 2.9694 -2. HS2O3- HS2O3(-1) HS2O3- H(1)S(2)O(3)-(1) ref:G9 13.Nov.97 -127200. -153900. 30.5 6.1964 7.3510 2.8549 -3.0828 18.9745 -2.3216 1.1676 -1. H2S2O3,AQ H2S2O3(0) H2S2O3(AQ) H(2)S(2)O(3)+(0) ref:G9 13.Nov.97 -128000. -150400. 45.0 7.4242 10.3493 1.6762 -3.2067 19.1373 2.5672 -0.3415 0. S2O4-2 S2O4(-2) S2O4-2 S(2)O(4)-(2) ref:G9 13.Nov.97 -143500. -180100. 22.0 6.6784 8.5280 2.3917 -3.1314 3.3115 -13.2399 2.8772 -2. HS2O4- HS2O4(-1) HS2O4- H(1)S(2)O(4)-(1) ref:G9 13.Nov.97 -146900. -179100. 36.5 7.6159 10.8142 1.5005 -3.2260 23.9326 -0.3049 1.0760 -1. H2S2O4,AQ H2S2O4(0) H2S2O4(AQ) H(2)S(2)O(4)+(0) ref:G9 13.Nov.97 -147400. -175300. 51.0 8.6525 13.3462 0.5023 -3.3306 24.1023 4.5838 -0.4323 0. S2O5-2 S2O5(-2) S2O5-2 S(2)O(5)-(2) ref:G9 13.Nov.97 -189000. -232000. 25. 7.3618 10.1945 1.7414 -3.2003 3.9715 -12.8732 2.8343 -2. S2O6-2 S2O6(-2) S2O6-2 S(2)O(6)-(2) ref:G9 13.Nov.97 -231000. -280400. 30. 8.2257 12.3054 0.9087 -3.2876 5.0331 -12.2621 2.7587 -2. S2O8-2 S2O8(-2) S2O8-2 S(2)O(8)-(2) ref:G9 07.Nov.97 -266500. -321400. 58.4 13.3622 24.8454 -4.0153 -3.8061 12.9632 -8.1271 2.3281 -2. S3-2 S3(-2) S3-2 S(3)-(2) ref:2 3.Jul.87 17600. 6200. 15.800 6.7661 8.7396 2.3150 -3.1403 -0.3595 -14.8288 2.9749 -2. S3- S3(-1) S3- S(3)-(1) ref:Pkr15 23.Jan.15 13160. 10840. 28.600 2.5000 19.9000 9.2000 -3.6000 50.2000 9.6000 0.8000 -1. S3O6-2 S3O6(-2) S3O6-2 S(3)O(6)-(2) ref:G9 13.Nov.97 -229000. -279000. 33. 8.4155 12.7691 0.7268 -3.3068 5.6683 -11.8954 2.7131 -2. S4-2 S4(-2) S4-2 S(4)-(2) ref:2 3.Jul.87 16500. 5500. 24.700 7.9381 11.6012 1.1902 -3.2586 2.6081 -13.3622 2.8390 -2. S4O6-2 S4O6(-2) S4O6-2 S(4)O(6)-(2) ref:G9 13.Nov.97 -248700. -292600. 61.5 10.2672 17.2902 -1.0502 -3.4937 11.7042 -8.4122 2.2805 -2. S5-2 S5(-2) S5-2 S(5)-(2) ref:2 3.Jul.87 15700. 5100. 33.600 9.1107 14.4645 0.0649 -3.3770 5.5361 -11.9159 2.7051 -2. S5O6-2 S5O6(-2) S5O6-2 S(5)O(6)-(2) ref:G9 13.Nov.97 -229000. -281000. 40. 8.8725 13.8806 0.2986 -3.3527 7.1576 -11.0399 2.6076 -2. SEBACATE,AQ C10H16O4-2 seb-2 C(10)H(16)O(4)-(2) REF:G6 16.JUN.92 -147640. -246880. 59.700 23.2262 45.9181 -5.8361 -4.6772 89.3135 -3.3642 2.3095 -2. SEBACIC-ACID,AQ C10H18O4 SEBAC C(10)H(18)O(4)+(0) REF:G6 16.JUN.92 -161240. -246000. 108.300 26.1119 52.4558 -7.3146 -4.9474 143.1573 11.3410 0.1306 0. SERINE,AQ C3H7NO3 SER(AQ) C(3)H(7)O(3)N(1)+(0) ref:PC1 29.Nov.06 -123930. -172420. 47.24 15.69 0.73 3.87 -3.49 48.5 -9.40 0.18 0. SO2,AQ SO2(0) SO2(AQ) S(1)O(2)+(0) ref:3 13.Jul.87 -71980. -77194. 38.700 6.9502 9.1890 2.1383 -3.1589 31.2101 6.4578 -0.2461 0. SO3-2 SO3(-2) SO3-2 S(1)O(3)-(2) ref:G9 11.Nov.97 -116300. -151900. -7. 2.4632 -1.7691 6.4494 -2.7058 -2.7967 -16.7843 3.3210 -2. SO4-2 SO4(-2) SO4-2 S(1)O(4)-(2) ref:G9 07.Nov.97 -177930. -217400. 4.50 8.3014 -1.9846 -6.2122 -2.6970 1.64 -17.998 3.1463 -2. SUBERATE,AQ C8H12O4-2 sub-2 C(8)H(12)O(4)-(2) REF:G6 16.JUN.92 -154970. -238780. 46.300 19.0114 36.3659 -3.6667 -4.2823 49.8209 -3.8780 2.5118 -2. SUBERIC-ACID,AQ C8H14O4 SUBAC C(8)H(14)O(4)+(0) REF:G6 16.JUN.92 -168490. -237760. 95.100 21.7582 42.5872 -5.0703 -4.5395 108.4636 7.1519 0.0431 0. SUCCINATE,AQ C4H4O4-2 Suc-2 C(4)H(4)O(4)-(2) REF:G6 17.JUN.92 -164380. -217350. 19.500 10.4577 15.8622 3.5716 -3.4346 -14.0383 -4.7180 2.9170 -2. SUCCINIC-ACID,AQ C4H6O4 SUCAC C(4)H(6)O(4)+(0) REF:G6 28.FEB.92 -177800. -218000. 62.300 12.9872 22.7109 -0.5623 -3.7178 51.0740 0.3050 -0.1744 0. Sc+3 Sc(+3) Sc+3 Sc(1)+(3) ref:G9 13.Nov.97 -140200. -146800. -61. -2.1109 -12.9294 10.8170 -2.2444 21.1134 -5.8456 2.5003 3. ScOH+2 ScOH(+2) ScOH+2 Sc(1)O(1)H(1)+(2) ref:G9 13.Nov.97 -19100. -200700. -15.7 -0.4111 -8.7778 9.1827 -2.4160 6.7806 -6.9659 1.2944 2. ScO+ ScO(+1) ScO+ Sc(1)O(1)+(1) ref:G9 13.Nov.97 -183600. -189800. -3.6 0.1089 -7.5069 8.6817 -2.4686 -21.4773 -14.5843 0.6063 1. HScO2,AQ HScO2(0) HScO2(AQ) H(1)Sc(1)O(2)+(0) ref:G9 13.Nov.97 -231600. -244300. 30.3 3.3422 0.3770 5.6066 -2.7945 -47.9689 -21.7545 -0.0300 0. ScO2- ScO2(-1) ScO2- Sc(1)O(2)-(1) ref:G9 13.Nov.97 -218100. -234100. 19.2 2.9831 -0.4979 5.9465 -2.7583 -24.9439 -18.1287 1.3369 -1. SeO3-2 SeO3(-2) SeO3-2 Se(1)O(3)-(2) ref:G9 13.Nov.97 -88400. -121700. 3.1 3.6149 1.0478 5.3323 -2.8222 -0.6517 -15.5417 3.1658 -2. SeO4-2 SeO4(-2) SeO4-2 Se(1)O(4)-(2) ref:G9 13.Nov.97 -105500. -143200. 12.9 5.7548 6.2678 3.2916 -3.0380 1.3971 -14.3602 3.0192 -2. SiF6-2 SiF6(-2) SiF6-2 Si(1)F(6)-(2) ref:2 16.Feb.88 -525700. -571000. 29.200 8.5311 13.0492 0.6211 -3.3185 4.0970 -12.6289 2.7716 -2. SiO2,AQ SiO2(0) SiO2(AQ) Si(1)O(2)+(0) ref:3 13.Jan.89 -199190. -209775. 18.000 1.9000 1.7000 20.0000 -2.7000 29.1000 -51.2000 0.1291 0. H4SiO4,aq H4SiO4(0) H4SiO4(aq) Si(1)O(4)H(4)+(0) ref:Stef01 Dec.2001 -312920. -348676. 45.100 18.7299 -21.2600 18.6200 -1.2001 58.0306 -20.7899 0.0869 0. Sm+2 Sm(+2) Sm+2 Sm(1)+(2) ref:G9 13.Nov.97 -123000. -120500. -6.2 -0.0353 -7.8592 8.8194 -2.4540 10.5009 -5.2141 1.1512 2. Sm+3 Sm(+3) Sm(+3) Sm(1)+(3) ref:G9 07.Nov.97 -159100. -165200. -50.7 -3.2065 -15.6108 11.8857 -2.1337 1.9385 -11.8548 2.2955 3. Sm+4 Sm(+4) Sm(+4) Sm(1)+(4) ref:G9 13.Nov.97 -39900. -56400. -101.1 -4.2886 -18.2500 12.9154 -2.0244 40.2222 -3.0752 3.7093 4. Sn+2 Sn(+2) Sn+2 Sn(1)+(2) ref:G9 11.Nov.97 -6570. -2100. -4.0 0.0094 -7.7516 8.7810 -2.4584 7.4160 -6.1919 1.1216 2. SnO,AQ SnO(0) SnO(AQ) Sn(1)O(1)+(0) ref:G9 13.Nov.97 -53600. -60100. 14.8 2.7401 -1.0905 6.1776 -2.7338 -13.0981 -9.6344 -0.0300 0. SnOH+ SnOH(+1) SnOH+ Sn(1)O(1)H(1)+(1) ref:G9 13.Nov.97 -58600. -63800. 19.2 2.9337 -0.6181 5.9928 -2.7533 0.9969 -5.6622 0.2595 1. HSnO2- HSnO2(-1) HSnO2- H(1)Sn(1)O(2)-(1) ref:G9 13.Nov.97 -97300. -122100. 9.4 4.1971 2.4678 4.7779 -2.8809 -6.7372 -12.2825 1.4874 -1. Sr(CO3),AQ Sr(CO3)(0) Sr(CO3)(AQ) Sr(1)C(1)O(3)+(0) ref:5 JAN.91 -264860. -288620. 8.500 -0.149 -8.144 8.951 -2.442 -13.260 -9.665 -0.038 0. Sr(HCO3)+ Sr(HCO3)(+1) Sr(HCO3)(+1) Sr(1)H(1)C(1)O(3)+(1) ref:G7A NOV.92 -276720. -291688. 38.00 3.694 1.237 5.264 -2.830 35.345 7.181 -0.023 1. Sr+2 Sr(+2) Sr+2 Sr(1)+(2) ref:G9 06.Nov.97 -134760. -131670. -7.53 0.7071 -10.1508 7.0027 -2.3594 10.7452 -5.0818 1.1363 2. SrCl+ SrCl(+) SrCl+ Sr(1)Cl(1)+(1) ref:5 2.Oct.97 -165800. -169790. 11. 2.7719 -1.0104 6.1402 -2.7372 16.6402 -0.6227 0.3837 1. SrF+ SrF(+) SrF+ Sr(1)F(1)+(1) ref:5 2.Oct.97 -202290. -210670. -6.2 0.2336 -7.2081 8.5761 -2.481 21.5706 0.2471 0.6472 1. SrOH+ SrOH(+) SrOH+ Sr(1)O(1)H(1)+(1) ref:G9 13.Nov.97 -173300. -180000. 14.6 2.8620 -0.7922 6.0586 -2.7462 4.7576 -4.5826 0.3306 1. THREONINE,AQ C4H9NO3 THR(AQ) C(4)H(9)O(3)N(1)+(0) ref:PC1 29.Nov.06 -119830. -178940. 44.23 18.94 2.83 8.87 -4.87 65.5 -7.10 0.11 0. TOLUENE,AQ C6H5CH3 TOL(aq) C(7)H(8)+(0) ref:4 4.Sep.87 30350. 3380. 44.100 43.7400 -25.330 -140.06 16.7300 81.7400 14.3400 -0.2900 0. TRYPTOPHAN,AQ C11H12N2O2 TRP(AQ) C(11)H(12)O(2)N(2)+(0) ref:PC1 29.Nov.06 -26820. -97590. 59.96 33.91 9.21 14.78 -9.36 116.8 -7.80 0.15 0. TYROSINE,AQ C9H11NO3 TYR(AQ) C(9)H(11)O(3)N(1)+(0) ref:PC1 29.Nov.06 -91800. -157740. 59.41 30.06 8.49 8.36 -8.58 106.2 -12.40 0.09 0. TYROSINE-,AQ C9H10NO3- TYR- C(9)H(10)O(3)N(1)-(1) ref:PC1 29.Nov.06 -79380. -149420. 45.66 26.34 10.49 16.42 -7.59 109.0 -16.00 2.78 -1. Tb+2 Tb(+2) Tb+2 Tb(1)+(2) ref:G9 13.Nov.97 -79400. -76200. -2.9 0.0294 -7.7042 8.7663 -2.4604 9.6780 -5.3363 1.1000 2. Tb+3 Tb(+3) Tb+3 Tb(1)+(3) ref:G9 07.Nov.97 -159500. -166900. -54.0 -2.9245 -14.9162 11.5979 -2.1623 7.1853 -10.3677 2.4007 3. Tb+4 Tb(+4) Tb+4 Tb(1)+(4) ref:G9 13.Nov.97 -88200. -105900. -104.2 -4.3164 -18.3144 12.9330 -2.0218 39.9963 -3.2789 3.7484 4. Te-2 Te(-2) Te-2 Te(1)-(2) ref:RG97 11.July.95 41600. 24200. -15.300 .0000 .0000 .0000 .0000 -87.8000 .0000 .0000 1. HTe- HTe(-1) HTe- Te(1)H(1)-(1) ref:RG97 11.July.95 41600. 24200. -15.300 .0000 .0000 .0000 .0000 -87.8000 .0000 .0000 1. Th+4 Th+4 Th+4 Th(1)+(4) ref:G9 07.Nov.97 -168500. -183800. -101. -4.2886 -18.2500 12.9154 -2.0244 40.2222 -3.0752 3.7093 4. Tl+ Tl(+) Tl+ Tl(1)+(1) ref:G9 11.Nov.97 -7740. 1280. 30.0 4.2884 2.6903 4.6910 -2.8901 4.6024 -3.8900 0.0974 1. Tl+3 Tl(+3) Tl+3 Tl(1)+(3) ref:G9 11.Nov.97 51300. 47000. -46.0 -1.1607 -10.6078 9.9017 -2.3404 27.0098 -3.0752 2.2752 3. TlOH,AQ TlOH(0) TlOH(AQ) Tl(1)O(1)H(1)+(0) ref:G9 13.Nov.97 -65550. -66660. 32.5 5.1759 4.8579 3.8372 -2.9797 -10.5781 -8.7585 -0.0300 0. TlOH+2 TlOH(+2) TlOH+2 Tl(1)O(1)H(1)+(2) ref:G9 13.Nov.97 -4500. -18800. -23.7 2.3952 -1.9341 6.5118 -2.6989 13.2638 -5.1122 1.4192 2. TlO+ TlO(+1) TlO+ Tl(1)O(1)+(1) ref:G9 13.Nov.97 -3200. -5150. 17.7 2.9144 -0.6673 6.0161 -2.7513 -38.6952 -19.5343 0.2832 1. HTlO2,AQ HTlO2(0) HTlO2(AQ) H(1)Tl(1)O(2)+(0) ref:G9 13.Nov.97 -57600. -65600. 53.1 5.1759 4.8579 3.8372 -2.9797 -79.1473 -32.5914 -0.0300 0. TlO2- TlO2(-1) TlO2- Tl(1)O(2)-(1) ref:G9 13.Nov.97 -41600. -52500. 43.5 5.1854 4.8830 3.8238 -2.9808 -57.6278 -28.3137 0.9699 -1. Tm+2 Tm(+2) Tm+2 Tm(1)+(2) ref:G9 13.Nov.97 -107600. -105600. -6.7 -0.0464 -7.8863 8.8296 -2.4529 10.6286 -5.1937 1.1587 2. Tm+3 Tm(+3) Tm+3 Tm(1)+(3) ref:G9 07.Nov.97 -159900. -168500. -58.1 -3.2967 -15.8312 11.9724 -2.1245 8.4826 -10.0215 2.4333 3. Tm+4 Tm(+4) Tm+4 Tm(1)+(4) ref:G9 13.Nov.97 -30100. -48300. -105.6 -4.3349 -18.3596 12.9511 -2.0199 40.0047 -3.3604 3.7747 4. UNDECANOATE,AQ C11H21O2- N-UN8- C(11)H(21)O(2)-(1) REF:G6 28.FEB.92 -70410. -168370. 78.800 26.6529 53.6845 -7.5999 -4.9982 203.5298 -1.7304 0.4356 -1. UNDECANOIC-ACID,AQ C11H22O2 UNAC C(11)H(22)O(2)+(0) REF:G6 17.JUN.92 -77130. -167870. 103.000 28.4537 57.7661 -8.5272 -5.1670 195.5826 17.8618 0.0955 0. UREA,AQ H2NCONH2 UREA,AQ H(4)N(2)C(1)O(1)+(0) ref:G5 5.Aug.90 -48720. -76100. 42.3 7.7158 7.3031 10.9353 -3.0808 23.5840 -2.6343 -0.3006 0. U+3 U+3 U+3 U(1)+(3) ref:G9 13.Nov.97 -113550. -116900. -46.1 -2.8438 -14.7220 11.5280 -2.1703 5.7945 -10.4492 2.2752 3. U+4 U+4 U+4 U(1)+(4) ref:G9 18.MAY.94 -126650. -141300. -99.6 -4.2836 -18.2319 12.8955 -2.0252 40.2193 -2.9938 3.6835 4. UO2+ UO2+ UO2+ U(1)O(2)+(1) ref:G9 18.MAY.94 -229690. -245000. -6.0 3.3767 0.4614 5.5725 -2.7980 -0.9002 -7.5363 0.6388 1. UO2+2 UO2+2 UO2+2 U(1)O(2)+(2) ref:G9 07.Nov.97 -227680. -243550. -23.5 3.0256 -4.1084 15.3326 -2.6091 21.07 0.43 1.4099 2. UO2- UO2- UO2- U(1)O(2)-(1) ref:G11 22.Oct.08 -183700. -193600. 43.3 5.1728 4.8473 3.8491 -2.9793 -57.3692 -28.2322 0.9733 -1. VALINE,AQ C5H11NO2 VAL(AQ) C(5)H(11)O(2)N(1)+(0) ref:PC1 29.Nov.06 -85330. -146420. 45.68 21.35 4.48 14.58 -6.12 83.8 -4.30 0.12 0. VO+ VO(+1) VO+ V(1)O(1)+(1) ref:G9 13.Nov.97 -106100. -109400. 4.9 -3.1084 -15.3641 11.7711 -2.1437 -28.3270 -16.5602 0.4799 1. VO+2 VO(+2) VO+2 V(1)O(1)+(2) ref:G9 13.Nov.97 -106700. -116300. -32. -1.2971 -10.9431 10.0377 -2.3265 38.8261 3.3616 1.5475 2. VOH+ VOH(+1) VOH+ V(1)O(1)H(1)+(1) ref:G9 13.Nov.97 -99800. -114100. -16.4 -1.5223 -11.4950 10.2591 -2.3037 29.7729 2.6079 0.8002 1. VOH+2 VOH(+2) VOH+2 V(1)O(1)H(1)+(2) ref:G9 13.Nov.97 -111500. -119400. -10.6 -0.1213 -8.0707 8.9058 -2.4453 2.7011 -8.1474 1.2206 2. VO2+ VO2(+) VO2+ V(1)O(2)+(1) ref:G9 13.Nov.97 -140300. -155300. -10.1 3.2606 0.1790 5.6817 -2.7863 4.5892 -5.8252 0.7003 1. VOOH+ VOOH(+1) VOOH+ V(1)O(2)H(1)+(1) ref:G9 13.Nov.97 -155700. -177600. -17.7 -1.5696 -11.6082 10.2984 -2.2990 30.8543 2.9134 0.8222 1. WO4-2 WO4(-2) WO4-2 W(1)O(4)-(2) ref:G9 07.Nov.97 -218500. -236500. 9.7 7.2074 8.7933 4.4891 -3.1424 8.3308 -12.0991 3.0657 -2. HWO4- HWO4(-) HWO4- H(1)W(1)O(4)-(1) ref:G9 07.Nov.97 -223400. -255000. 31.2 7.7661 11.1820 1.3532 -3.2412 34.7493 3.1986 1.1559 -1 Xe,AQ Xe(0) Xe(aq) Xe(1)+(0) ref:G18 04.Oct.00 3215. -4540. 14.5 18.40 -2.39 -59.03 1.43 35.85 13.86 -0.39 0. Y+3 Y(+3) Y+3 Y(1)+(3) ref:G9 13.Nov.97 -163800. -170900. -60. -2.0463 -12.7741 10.7611 -2.2508 21.5366 -5.6622 2.4890 3. YOH+2 YOH(+2) YOH+2 Y(1)O(1)H(1)+(2) ref:G9 14.Nov.97 -210000. -220900. -17.2 2.4985 -1.6806 6.4099 -2.7094 8.0136 -6.6196 1.3201 2. YO+ YO(+1) YO+ Y(1)O(1)+(1) ref:G9 14.Nov.97 -198100. -204600. -2.2 2.5778 -1.4890 6.3393 -2.7173 -22.6289 -14.9102 0.5831 1. HYO2,AQ HYO2(0) HYO2(AQ) H(1)Y(1)O(2)+(0) ref:G9 14.Nov.97 -241700. -254600. 31.8 4.4506 3.0828 4.5443 -2.9063 -50.6646 -22.6916 -0.0300 0. YO2- YO2(-2) YO2- Y(1)O(2)-(2) ref:G9 14.Nov.97 -227400. -243600. 20.8 4.5219 3.2579 4.4729 -2.9136 -27.0256 -18.7805 1.3145 -1. Yb+2 Yb(+2) Yb+2 Yb(1)+(2) ref:G9 13.Nov.97 -128500. -126800. -11.2 -0.1323 -8.0980 8.9173 -2.4441 11.7413 -5.0308 1.2285 2. Yb+3 Yb(+3) Yb+3 Yb(1)+(3) ref:G9 07.Nov.97 -153000. -160300. -56.9 -3.4983 -16.3233 12.1658 -2.1042 7.3533 -10.4493 2.4443 3. Yb+4 Yb(+4) Yb+4 Yb(1)+(4) ref:G9 13.Nov.97 3800. -13600. -106.6 -4.3441 -18.3854 12.9683 -2.0188 39.9511 -3.4215 3.7880 4. Zn+2 Zn(+2) Zn+2 Zn(1)+(2) ref:G9 07.Nov.97 -35200. -36660. -26.2 -1.0676 -8.9290 6.1282 -2.4098 18.74 -5.37 1.4574 2. ZnCl+ ZnCl(+) ZnCl+ Zn(1)Cl(1)+(1) ref:5 16.Sept.97 -66850. -66240. 23. 1.6583 -3.7293 7.2088 -2.6248 19.6947 1.0191 0.2025 1. ZnCl2,AQ ZnCl2(0) ZnCl2(AQ) Zn(1)Cl(2)+(0) ref:5 16.Sept.97 -98300. -109080. 27.03 5.1486 4.7929 3.8592 -2.9771 26.1528 4.0338 -0.038 0. ZnCl3- ZnCl3(-) ZnCl3- Zn(1)Cl(3)-(1) ref:5 2.Oct.97 -129310. -151060. 25. 9.5636 15.5732 -0.3779 -3.4227 42.2912 5.5147 1.2513 -1. ZnOH+ ZnOH(+1) ZnOH+ Zn(1)O(1)H(1)+(1) ref:G9 14.Nov.97 -81190. -86990. 15. 1.1499 -4.9677 7.6896 -2.5735 15.0306 -0.9975 0.3260 1. ZnO,AQ ZnO(0) ZnO(AQ) Zn(1)O(1)+(0) ref:G9 14.Nov.97 -67420. -78290. -2. -1.2418 -10.8072 9.9819 -2.3321 0.0295 -5.0715 -0.0300 0. HZnO2- HZnO2(-1) HZnO2- H(1)Zn(1)O(2)-(1) ref:G9 14.Nov.97 -110720. -142370. -16. 0.5623 -6.4047 8.2588 -2.5141 35.0874 1.0394 1.8669 -1. ZnO2-2 ZnO2(-2) ZnO2-2 Zn(1)O(2)-(2) ref:G9 14.Nov.97 -93290. -132100. -40. -0.5559 -9.1347 9.3301 -2.4013 32.5837 -6.0900 3.8216 -2. Bi(Ac)+2 BiCH3COO+2 Bi(Ac)+2 Bi(1)C(2)H(3)O(2)+(2) ref:G4 26.Sept.92 -67750. -96420. -15.200 5.1690 4.8386 3.8508 -2.9789 107.9465 28.2236 1.2860 2. Bi(Ac)2+ Bi(CH3COO)2+ Bi(Ac)2+ Bi(1)C(4)H(6)O(4)+(1) ref:G4 9 -157070. -212380. 9.600 11.9760 21.4619 -2.6877 -3.6661 201.6950 63.6303 0.4046 1. Bi(Ac)3,AQ Bi(CH3COO)3 Bi(Ac)3,AQ Bi(1)C(6)H(9)O(6) ref:G4 Sep.92 -245540. -329240. 28.600 19.7454 40.4309 -10.1406 -4.4503 313.6160 103.9230 -0.0300 0. Dy(Ac)+2 DyCH3COO+2 Dy(Ac)+2 Dy(1)C(2)H(3)O(2)+(2) ref:G4 11.Sep.92 -250590. -286150. -34.200 2.8591 -0.7970 6.0561 -2.7460 64.0720 12.0356 1.5790 2. Dy(Ac)2+ Dy(CH3COO)2+ Dy(Ac)2+ Dy(1)C(4)H(6)O(4)+(1) ref:G4 11.Sep.92 -341450. -405710. -16.300 9.4257 15.2330 -0.2363 -3.4086 114.4678 32.0457 0.8002 1. Dy(Ac)3,AQ Dy(CH3COO)3 Dy(Ac)3,AQ Dy(1)C(6)H(9)O(6) ref:G4A 2.Jun.98 -431590. -526752. -5.400 16.7548 33.1279 -7.2677 -4.1484 160.0243 50.5384 -0.0300 0. Ho(Ac)+2 HoCH3COO+2 Ho(Ac)+2 Ho(1)C(2)H(3)O(2)+(2) ref:G4 11.Sep.92 -253270. -288520. -32.900 2.7148 -1.1553 6.2089 -2.7311 61.7679 11.3023 1.5579 2. Ho(Ac)2+ Ho(CH3COO)2+ Ho(Ac)2+ Ho(1)C(4)H(6)O(4)+(1) ref:G4 11.Sept.92 -344120. -407930. -14.600 9.2621 14.8317 -0.0744 -3.3920 110.0599 30.6149 0.7686 1. Ho(Ac)3,AQ Ho(CH3COO)3 Ho(Ac)3,AQ Ho(1)C(6)H(9)O(6) ref:G4A 2.Jun.98 -434250. -528736. -3.100 16.5845 32.7130 -7.1070 -4.1313 153.0665 48.1201 -0.0300 0. Er(Ac)+2 ErCH3COO+2 Er(Ac)+2 Er(1)C(2)H(3)O(2)+(2) ref:G4 9 -251770. -288520. -38.600 2.5305 -1.6022 6.3787 -2.7127 61.2455 10.8439 1.6444 2. Er(Ac)2+ Er(CH3COO)2+ Er(Ac)2+ Er(1)C(4)H(6)O(4)+(1) ref:G4 9 -342620. -408540. -22.300 9.0662 14.3528 0.1146 -3.3722 108.6293 29.7206 0.8926 1. Er(Ac)3,AQ Er(CH3COO)3 Er(Ac)3,AQ Er(1)C(6)H(9)O(6) ref:G4 9 -432750. -529992. -13.200 16.3195 32.0657 -6.8520 -4.1045 148.7181 46.6086 -0.0300 0. Tm(Ac)+2 TmCH3COO+2 Tm(Ac)+2 Tm(1)C(2)H(3)O(2)+(2) ref:G4 9 -251770. -288500. -38.300 2.5268 -1.6112 6.3814 -2.7123 61.1431 10.8439 1.6332 2. Tm(Ac)2+ Tm(CH3COO)2+ Tm(Ac)2+ Tm(1)C(4)H(6)O(4)+(1) ref:G4 9 -342620. -408490. -21.900 9.0621 14.3448 0.1131 -3.3719 108.5166 29.7206 0.8803 1. Tm(Ac)3,AQ Tm(CH3COO)3 Tm(Ac)3,AQ Tm(1)C(6)H(9)O(6) ref:G4 9 -432750. -529900. -12.700 16.3195 32.0657 -6.8520 -4.1045 148.7181 46.6086 -0.0300 0. Be(Ac)+ BeCH3COO+ Be(Ac)+ Be(1)C(2)H(3)O(2)+(1) ref:G4 93 -174020. -213040. -45.600 5.0795 4.6238 3.9264 -2.9700 74.5470 16.7410 1.2465 1. Be(Ac)2,AQ Be(CH3COO)2 Be(Ac)2,AQ Be(1)C(4)H(6)O(4) ref:G4 93 -263740. -336230. -43.800 11.7442 20.8961 -2.4661 -3.6427 131.9355 40.7754 -0.0300 0. Ra(Ac)+ RaCH3COO+ Ra(Ac)+ Ra(1)C(2)H(3)O(2)+(1) ref:G4 93 -223900. -239380. 48.000 6.8554 8.9566 2.2315 -3.1492 44.1726 10.7370 -0.1754 1. Ra(Ac)2,AQ Ra(CH3COO)2 Ra(Ac)2,AQ Ra(1)C(4)H(6)O(4) ref:G4 93 -312940. -353260. 78.800 14.2584 27.0324 -4.8725 -3.8964 98.2315 29.0609 -0.0300 0. Au(Ac),AQ AuCH3COO Au(Ac),AQ Au(1)C(2)H(3)O(2) ref:G4 9 -49870. -68310. 48.000 10.2130 17.1576 -0.9969 -3.4882 38.7432 8.3843 -0.0300 0. Au(Ac)2- Au(CH3COO)2- Au(Ac)2- Au(1)C(4)H(6)O(4)-(1) ref:G4 9 -138240. -186750. 61.300 18.1917 36.6392 -8.6534 -4.2936 90.4610 24.0193 0.7010 -1. Li(Ac),AQ LiCH3COO Li(Ac),AQ Li(1)C(2)H(3)O(2) ref:G4 92 -158610. -184240. 19.500 8.3880 12.6976 0.7639 -3.3038 56.6767 14.6175 -0.0300 0. Li(Ac)2- Li(CH3COO)2- Li(Ac)2- Li(1)C(4)H(6)O(4)-(1) ref:G4 9 -246810. -304670. 25.500 16.3412 32.1211 -6.8785 -4.1068 130.4373 36.1810 1.2422 -1. Na(Ac),AQ NaCH3COO Na(Ac),AQ Na(1)C(2)H(3)O(2) ref:G4 92 -150720. -173540. 34.200 8.3514 12.6125 0.7884 -3.3003 49.8989 12.2617 -0.0300 0. Na(Ac)2- Na(CH3COO)2- Na(Ac)2- Na(1)C(4)H(6)O(4)-(1) ref:G4 9 -238470. -292400. 44.000 16.2062 31.7884 -6.7416 -4.0930 114.6437 31.5846 0.9633 -1. K(Ac),AQ KCH3COO K(Ac),AQ K(1)C(2)H(3)O(2) ref:G4 92 -155420. -175220. 47.600 9.9020 16.3937 -0.6874 -3.4566 40.5631 9.0167 -0.0300 0. K(Ac)2- K(CH3COO)2- K(Ac)2- K(1)C(4)H(6)O(4)-(1) ref:G4 92 -242990. -292900. 60.700 17.8481 35.7984 -8.3193 -4.2588 94.0916 25.2533 0.7097 -1. Mg(Ac)+ MgCH3COO+ Mg(Ac)+ Mg(1)C(2)H(3)O(2)+(1) ref:G4 93 -198520. -229480. -13.100 5.4981 5.6424 3.5341 -3.0122 64.6297 14.8894 0.7483 1. Mg(Ac)2,AQ Mg(CH3COO)2 Mg(Ac)2,AQ Mg(1)C(4)H(6)O(4) ref:G4A 2.Jun.98 -287830. -349327. -1.200 12.3982 22.4898 -3.0853 -3.7086 121.5413 37.1627 -0.0300 0. Sr(Ac)+ SrCH3COO+ Sr(Ac)+ Sr(1)C(2)H(3)O(2)+(1) ref:G4 92 -224510. -247220. 20.000 5.9602 6.7718 3.0884 -3.0588 53.8109 12.7307 0.2482 1. Sr(Ac)2,AQ Sr(CH3COO)2 Sr(Ac)2,AQ Sr(1)C(4)H(6)O(4) ref:G4 9 -313610. -363740. 42.200 13.1015 24.2102 -3.7685 -3.7797 109.4234 32.9508 -0.0300 0. Ba(Ac)+ BaCH3COO+ Ba(Ac)+ Ba(1)C(2)H(3)O(2)+(1) ref:G4 92 -223650. -242850. 33.500 6.6253 8.3926 2.4574 -3.1259 48.9806 11.6995 0.0459 1. Ba(Ac)2,AQ Ba(CH3COO)2 Ba(Ac)2,AQ Ba(1)C(4)H(6)O(4) ref:G4 9 -312620. -358010. 59.700 13.9186 26.2066 -4.5556 -3.8623 103.6344 30.9388 -0.0300 0. Cu(Ac),AQ CuCH3COO Cu(Ac),AQ Cu(1)C(2)H(3)O(2) ref:G4 92 -76770. -99970. 28.700 7.3009 10.0483 1.7946 -3.1943 56.0175 14.3883 -0.0300 0. Cu(Ac)2- Cu(CH3COO)2- Cu(Ac)2- Cu(1)C(4)H(6)O(4)-(1) ref:G4 92 -165000. -219740. 37.000 15.0715 29.0205 -5.6592 -3.9786 127.5564 35.7339 1.0691 -1. Rb(Ac),AQ RbCH3COO Rb(Ac),AQ Rb(1)C(2)H(3)O(2) ref:G4 92 -156110. -174950. 53.700 10.6948 18.3352 -1.4623 -3.5369 33.9961 6.7343 -0.0300 0. Rb(Ac)2- Rb(CH3COO)2- Rb(Ac)2- Rb(1)C(4)H(6)O(4)-(1) ref:G4 92 -244000. -292490. 68.300 18.6924 37.8608 -9.1318 -4.3441 80.2139 20.8000 0.5941 -1. Tl(Ac),AQ TlCH3COO Tl(Ac),AQ Tl(1)C(2)H(3)O(2) ref:G4 92 -95860. -113350. 55.200 11.2955 19.8003 -2.0347 -3.5974 32.4138 6.1843 -0.0300 0. Tl(Ac)2- Tl(CH3COO)2- Tl(Ac)2- Tl(1)C(4)H(6)O(4)-(1) ref:G4 9 -183600. -230620. 70.300 19.3516 39.4721 -9.7684 -4.4107 76.8519 19.7269 0.5643 -1. Cs(Ac),AQ CsCH3COO Cs(Ac),AQ Cs(1)C(2)H(3)O(2) ref:G4 92 -158010. -176320. 57.500 11.7865 20.9974 -2.5020 -3.6469 29.6579 5.2264 -0.0300 0. Cs(Ac)2- Cs(CH3COO)2- Cs(Ac)2- Cs(1)C(4)H(6)O(4)-(1) ref:G4 92 -245900. -293570. 73.200 19.8839 40.7670 -10.2671 -4.4642 71.0739 17.8580 0.5208 -1. Pb(Ac)+ PbCH3COO+ Pb(Ac)+ Pb(1)C(2)H(3)O(2)+(1) ref:G4 91 -97250. -115880. 36.000 6.1543 7.2429 2.9082 -3.0783 48.0824 11.5161 0.0057 1. Pb(Ac)2,AQ Pb(CH3COO)2 Pb(Ac)2,AQ Pb(1)C(4)H(6)O(4) ref:G4 91 -186890. -229460. 69.800 13.4090 24.9584 -4.0570 -3.8107 102.6053 30.5811 -0.0300 0. Mn(Ac)+ MnCH3COO+ Mn(Ac)+ Mn(1)C(2)H(3)O(2)+(1) ref:G4 92 -144430. -169560. 6.300 6.0776 7.0570 2.9786 -3.0706 63.5668 15.4577 0.4555 1. Mn(Ac)2,AQ Mn(CH3COO)2 Mn(Ac)2,AQ Mn(1)C(4)H(6)O(4) ref:G4 9 -233850. -287670. 24.200 13.1542 24.3405 -3.8236 -3.7851 124.7315 38.2716 -0.0300 0. Mn(Ac)3- Mn(CH3COO)3- Mn(Ac)3- Mn(1)C(6)H(9)O(6)-(1) ref:G4 92 -322580. -408280. 31.500 21.6217 45.0124 -11.9409 -4.6397 211.3036 64.5717 1.1536 -1. Co(Ac)+ CoCH3COO+ Co(Ac)+ Co(1)C(2)H(3)O(2)+(1) ref:G4 92 -103260. -132080. -6.500 5.0294 4.4992 3.9806 -2.9649 60.4543 13.7619 0.6472 1. Co(Ac)2,AQ Co(CH3COO)2 Co(Ac)2,AQ Co(1)C(4)H(6)O(4) ref:G4 92 -192770. -251460. 7.500 11.9141 21.3120 -2.6321 -3.6599 115.2121 34.9629 -0.0300 0. Co(Ac)3- Co(CH3COO)3- Co(Ac)3- Co(1)C(6)H(9)O(6)-(1) ref:G4 92 -281890. -373730. 10.400 20.3474 41.8989 -10.7127 -4.5110 198.1420 58.9793 1.4714 -1. Ni(Ac)+ NiCH3COO+ Ni(Ac)+ Ni(1)C(2)H(3)O(2) ref:G4 92 -101120. -131450. -11.700 4.3556 2.8512 4.6343 -2.8968 56.0621 11.9745 0.7287 1. Ni(Ac)2,AQ Ni(CH3COO)2 Ni(Ac)2,AQ Ni(1)C(4)H(6)O(4) ref:G4A 2.Jun.98 -190610. -251340. 0.700 11.1327 19.4031 -1.8801 -3.5810 105.1782 31.4753 -0.0300 0. Ni(Ac)3- Ni(CH3COO)3- Ni(Ac)3- Ni(1)C(6)H(9)O(6)-(1) ref:G4A 2.Jun.98 -279690. -374124. 1.900 19.5212 39.8827 -9.9226 -4.4277 182.3942 53.0847 1.6030 -1. Cu(Ac)+ CuCH3COO+ Cu(Ac)+ Cu(1)C(2)H(3)O(2)+(1) ref:G4 92 -75640. -103120. -1.300 4.9722 4.3620 4.0290 -2.9592 62.4950 14.7244 0.5681 1. Cu(Ac)2,AQ Cu(CH3COO)2 Cu(Ac)2,AQ Cu(1)C(4)H(6)O(4) ref:G4 92 -165820. -222690. 14.200 11.8801 21.2264 -2.5925 -3.6564 120.6150 36.8408 -0.0300 0. Cu(Ac)3- Cu(CH3COO)3- Cu(Ac)3- Cu(1)C(6)H(9)O(6)-(1) ref:G4 92 -255810. -345320. 18.990 20.2654 41.7019 -10.6422 -4.5029 206.0700 62.1534 1.3408 -1. NH4(Ac),AQ NH4CH3COO NH4(Ac),AQ N(1)C(2)H(7)O(2) ref:G4 92 -107550. -147230. 50.700 11.2849 19.7719 -2.0187 -3.5963 58.7075 15.3233 -0.0300 0. NH4(Ac)2- NH4(CH3COO)2- NH4(Ac)2- N(1)C(4)H(10)O(4)-(1) ref:G4 92 -195640. -265200. 64.700 19.3685 39.5090 -9.7736 -4.4122 128.9386 37.5581 0.6495 -1. UO2(Ac)+ UO2CH3COO+ UO2(Ac)+ U(1)C(2)H(3)O(4)+(1) ref:G4A 2.Jun.98 -320100. -363559. -1.700 9.5990 15.6588 -0.4099 -3.4262 83.5297 22.0118 0.5756 1. UO2(Ac)2,AQ UO2(CH3COO)2 UO2(Ac)2,AQ U(1)C(4)H(6)O(6) ref:G4 94 -411840. -484700. 13.700 17.0325 33.8044 -7.5309 -4.1764 161.5228 51.0592 -0.0300 0. UO2(Ac)3- UO2(CH3COO)3- UO2(Ac)3- U(1)C(6)H(9)O(8)-(1) ref:G4 94 -502400. -607960. 18.300 26.0101 55.7294 -16.1571 -5.0828 275.3211 86.1855 1.3526 -1. Ag(Ac),AQ AgCH3COO Ag(Ac),AQ Ag(1)C(2)H(3)O(2) ref:G4 92 -70840. -91650. 38.900 8.3987 12.7257 0.7485 -3.3050 48.3694 11.7300 -0.0300 0. Ag(Ac)2- Ag(CH3COO)2- Ag(Ac)2- Ag(1)C(4)H(6)O(4)-(1) ref:G4 92 -158990. -210560. 49.900 16.2287 31.8418 -6.7592 -4.0952 110.8373 30.5473 0.8741 -1. Cd(Ac)+ CdCH3COO+ Cd(Ac)+ Cd(1)C(2)H(3)O(2)+(1) ref:G4 92 -109460. -135920. 6.600 6.3043 7.6112 2.7593 -3.0935 64.3035 15.7327 0.4496 1. Cd(Ac)2,AQ Cd(CH3COO)2 Cd(Ac)2,AQ Cd(1)C(4)H(6)O(4) ref:G4 92 -199400. -254520. 24.600 13.4090 24.9584 -4.0570 -3.8107 126.2752 38.8081 -0.0300 0. Cd(Ac)3- Cd(CH3COO)3- Cd(Ac)3- Cd(1)C(6)H(9)O(6)-(1) ref:G4A 2.Jun.98 -288030. -375080. 31.900 21.9033 45.7036 -12.2199 -4.6683 213.8505 65.4786 1.1469 -1. Hg(Ac)+ HgCH3COO+ Hg(Ac)+ Hg(1)C(2)H(3)O(2)+(1) ref:G4 92 -54760. -79390. 18.500 5.6341 5.9787 3.3935 -3.0261 70.1764 18.3452 0.2712 1. Hg(Ac)2,AQ Hg(CH3COO)2 Hg(Ac)2,AQ Hg(1)C(4)H(6)O(4) ref:G4 92 -146580. -198780. 40.100 12.7295 23.3004 -3.4080 -3.7421 140.9402 43.9053 -0.0300 0. Hg(Ac)3- Hg(CH3COO)3- Hg(Ac)3- Hg(1)C(6)H(9)O(6)-(1) ref:G4 92 -239020. -321900. 51.400 21.0462 43.6061 -11.3861 -4.5816 235.9096 74.0939 0.8508 -1. Sc(Ac)+2 ScCH3COO+2 Sc(Ac)+2 Sc(1)C(2)H(3)O(2)+(2) ref:G4 92 -233010. -268100. -42.400 2.7175 -1.1437 6.1937 -2.7316 60.3195 10.3398 1.7013 2. Sc(Ac)2+ Sc(CH3COO)2+ Sc(Ac)2+ Sc(1)C(4)H(6)O(4)+(1) ref:G4 92 -324640. -389320. -27.500 9.2794 14.8737 -0.0899 -3.3938 106.5183 28.7370 0.9706 1. Sc(Ac)3,AQ Sc(CH3COO)3 Sc(Ac)3,AQ Sc(1)C(6)H(9)O(6) ref:G4 92 -415370. -511840. -20.000 16.5277 32.5748 -7.0539 -4.1255 143.9346 44.9460 -0.0300 0. U(Ac)+2 UCH3COO+2 U(Ac)+2 U(1)C(2)H(3)O(2)+(2) ref:G4 92 -205480. -235460. -21.300 4.8662 4.1031 4.1308 -2.9485 103.6659 26.4274 1.3823 2. U(Ac)2+ U(CH3COO)2+ U(Ac)2+ U(1)C(4)H(6)O(4)+(1) ref:G4A 2.Jun.98 -296950. -354300. 1.300 11.6455 20.6554 -2.3718 -3.6328 192.7896 60.1258 0.5324 1. U(Ac)3,AQ U(CH3COO)3 U(Ac)3,AQ U(1)C(6)H(9)O(6) ref:G4 92 -387360. -473790. 17.700 19.3290 39.4128 -9.7374 -4.4082 296.5739 97.9996 -0.0300 0. Pr(Ac)+2 PrCH3COO+2 Pr(Ac)+2 Pr(1)C(2)H(3)O(2)+(2) ref:G4 92 -254570. -287880. -26.800 2.6078 -1.4116 6.2996 -2.7205 41.9424 4.7024 1.4671 2. Pr(Ac)2+ Pr(CH3COO)2+ Pr(Ac)2+ Pr(1)C(4)H(6)O(4)+(1) ref:G4 92 -345500. -406710. -6.200 9.1362 14.5250 0.0441 -3.3794 71.8931 17.7378 0.6472 1. Pr(Ac)3,AQ Pr(CH3COO)3 Pr(Ac)3,AQ Pr(1)C(6)H(9)O(6) ref:G4 92 -435690. -526750. 7.800 16.4898 32.4806 -7.0127 -4.1216 90.4470 26.3552 -0.0300 0. La(Ac)+2 LaCH3COO+2 La(Ac)+2 La(1)C(2)H(3)O(2)+(2) ref:G4 92 -255750. -288710. -29.600 3.1548 -0.0804 5.7863 -2.7756 56.1530 9.5148 1.5067 2. La(Ac)2+ La(CH3COO)2+ La(Ac)2+ La(1)C(4)H(6)O(4)+(1) ref:G4 92 -346160. -407330. -10.100 9.7487 16.0216 -0.5464 -3.4412 99.3969 27.1273 0.7003 1. La(Ac)3,AQ La(CH3COO)3 La(Ac)3,AQ La(1)C(6)H(9)O(6) ref:G4A 2.Jun.98 -436550. -527986. 2.800 17.1523 34.1020 -7.6583 -4.1887 136.1072 42.2254 -0.0300 0. Nd(Ac)+2 NdCH3COO+2 Nd(AC)+2 Nd(1)C(2)H(3)O(2)+(2) ref:G4 92 -252510. -285470. -26.100 2.4521 -1.7961 6.4594 -2.7046 47.7869 6.7648 1.4574 2. Nd(Ac)2+ Nd(CH3COO)2+ Nd(Ac)2+ Nd(1)C(4)H(6)O(4)+(1) ref:G4 92 -343330. -404110. -5.300 8.9606 14.0990 0.2066 -3.3618 83.3168 21.7619 0.6305 1. Nd(Ac)3,AQ Nd(CH3COO)3 Nd(Ac)3,AQ Nd(1)C(6)H(9)O(6) ref:G4 92 -433560. -524090. 9.100 16.3006 32.0216 -6.8393 -4.1027 110.0156 33.1567 -0.0300 0. Ce(Ac)+2 CeCH3COO+2 Ce(Ac)+2 Ce(1)C(2)H(3)O(2)+(2) ref:G4 92 -253590. -286390. -25.400 2.9487 -0.5825 5.9809 -2.7548 53.6757 8.8731 1.4382 2. Ce(Ac)2+ Ce(CH3COO)2+ Ce(Ac)2+ Ce(1)C(4)H(6)O(4)+(1) ref:G4A 2.Jun.98 -344550. -405090. -4.300 9.5157 15.4527 -0.3219 -3.4177 95.0022 25.8754 0.6143 1. Ce(Ac)3,AQ Ce(CH3COO)3 Ce(Ac)3,AQ Ce(1)C(6)H(9)O(6) ref:G4 92 -434760. -524960. 10.300 16.9252 33.5426 -7.4282 -4.1656 130.0191 40.1094 -0.0300 0. Gd(Ac)+2 GdCH3COO+2 Gd(Ac)+2 Gd(1)C(2)H(3)O(2)+(2) ref:G4 92 -250490. -283100. -25.700 2.8605 -0.7945 6.0567 -2.7461 57.3241 10.1106 1.4477 2. Gd(Ac)2+ Gd(CH3COO)2+ Gd(Ac)2+ Gd(1)C(4)H(6)O(4)+(1) ref:G4 92 -341350. -401740. -4.700 9.4165 15.2134 -0.2342 -3.4078 102.0230 28.2899 0.6223 1. Gd(Ac)3,AQ Gd(CH3COO)3 Gd(Ac)3,AQ Gd(1)C(6)H(9)O(6) ref:G4 92 -431490. -521580. 9.800 16.8116 33.2662 -7.3215 -4.1541 141.7603 44.1903 -0.0300 0. Sm(Ac)+2 SmCH3COO+2 Sm(Ac)+2 Sm(1)C(2)H(3)O(2)+(2) ref:G4 92 -251240. -284550. -27.800 2.6264 -1.3667 6.2827 -2.7224 47.8346 6.7190 1.4769 2. Sm(Ac)2+ Sm(CH3COO)2+ Sm(Ac)2+ Sm(1)C(4)H(6)O(4)+(1) ref:G4 92 -342190. -403500. -7.600 9.1590 14.5839 0.0138 -3.3818 83.3717 21.6725 0.6644 1. Sm(Ac)3,AQ Sm(CH3COO)3 Sm(Ac)3,AQ Sm(1)C(6)H(9)O(6) ref:G4A 2.Jun.98 -432630. -524009. 6.000 16.5088 32.5307 -7.0412 -4.1237 109.5807 33.0056 -0.0300 0. Yb(Ac)+2 YbCH3COO+2 Yb(Ac)+2 Yb(1)C(2)H(3)O(2)+(2) ref:G4 92 -244760. -280040. -36.600 2.2906 -2.1905 6.6154 -2.6883 58.1718 9.8814 1.6113 2. Yb(Ac)2+ Yb(CH3COO)2+ Yb(Ac)2+ Yb(1)C(4)H(6)O(4)+(1) ref:G4 92 -335520. -399750. -19.600 8.7953 13.6959 0.3628 -3.3451 102.7868 27.8427 0.8449 1. Yb(Ac)3,AQ Yb(CH3COO)3 Yb(Ac)3,AQ Yb(1)C(6)H(9)O(6) ref:G4 92 -425590. -520890. -9.700 16.0356 31.3743 -6.5843 -4.0759 139.5859 43.4346 -0.0300 0. Eu(Ac)+2 EuCH3COO+2 Eu(Ac)+2 Eu(1)C(2)H(3)O(2)+(2) ref:G4 92 -229390. -264280. -31.100 2.7500 -1.0666 6.1690 -2.7348 57.1309 9.7898 1.5269 2. Eu(Ac)2+ Eu(CH3COO)2+ Eu(Ac)2+ Eu(1)C(4)H(6)O(4)+(1) ref:G4A 2.Jun.98 -320420. -383670. -12.000 9.3029 14.9307 -0.1123 -3.3961 101.2917 27.6639 0.7384 1. Eu(Ac)3,AQ Eu(CH3COO)3 Eu(Ac)3,AQ Eu(1)C(6)H(9)O(6) ref:G4A 2.Jun.98 -410690. -504320. 0.200 16.6413 32.8512 -7.1605 -4.1370 138.7162 43.1323 -0.0300 0. Y(Ac)+2 YCH3COO+2 Y(Ac)+2 Y(1)C(2)H(3)O(2)+(2) ref:G4 92 -255670. -291130. -41.000 2.8774 -0.7576 6.0516 -2.7476 59.7114 10.2023 1.6782 2. Y(Ac)2+ Y(CH3COO)2+ Y(Ac)2+ Y(1)C(4)H(6)O(4)+(1) ref:G4 92 -346520. -411420. -25.600 9.4572 15.3127 -0.2736 -3.4119 105.4982 28.4687 0.9437 1. Y(Ac)3,AQ Y(CH3COO)3 Y(Ac)3,AQ Y(1)C(6)H(9)O(6) ref:G4 92 -436650. -533170. -17.500 16.7359 33.0838 -7.2550 -4.1466 142.6300 44.4926 -0.0300 0. Lu(Ac)+2 LuCH3COO+2 Lu(Ac)+2 Lu(1)C(2)H(3)O(2)+(2) ref:G4 92 -251290. -288534. -45.400 2.2608 -2.2622 6.6412 -2.6854 65.2386 11.8981 1.7486 2. Lu(Ac)2+ Lu(CH3COO)2+ Lu(Ac)2+ Lu(1)C(4)H(6)O(4)+(1) ref:G4 92 -342150. -409310. -31.600 8.7721 13.6382 0.3879 -3.3427 115.7906 31.7774 1.0276 1. Lu(Ac)3,AQ Lu(CH3COO)3 Lu(Ac)3,AQ Lu(1)C(6)H(9)O(6) ref:G4 92 -432290. -531620. -25.300 15.9409 31.1419 -6.4897 -4.0663 158.7197 50.0850 -0.0300 0. Tb(Ac)+2 TbCH3COO+2 Tb(AC)+2 Tb(1)C(2)H(3)O(2)+(2) ref:G4 92 -251390. -286400. -32.500 2.9247 -0.6382 5.9963 -2.7525 52.1779 8.0023 1.5475 2. Tb(Ac)2+ Tb(CH3COO)2+ Tb(Ac)2+ Tb(1)C(4)H(6)O(4)+(1) ref:G4 92 -342250. -405780. -14.000 9.4965 15.4094 -0.3132 -3.4159 91.4417 24.1763 0.7584 1. Tb(Ac)3,AQ Tb(CH3COO)3 Tb(Ac)3,AQ Tb(1)C(6)H(9)O(6) ref:G4 92 -432390. -526470. -2.300 16.8495 33.3603 -7.3624 -4.1580 121.7569 37.2376 -0.0300 0. Pb(Ac)3- Pb(CH3COO)3- Pb(Ac)3- Pb(1)C(6)H(9)O(6)-(1) ref:G4 93 -277750. -348760. 88.600 21.6128 44.9921 -11.9361 -4.6389 165.9232 51.5732 0.2871 -1. Fe(Ac)+ FeCH3COO+ Fe(Ac)+ Fe(1)C(2)H(3)O(2)+(1) ref:5 18.Sep.97 -111900. -139060. -1.5 5.2246 4.9785 3.7863 -2.9848 59.116 13.5263 0.5756 1. Fe(Ac)2,AQ Fe(CH3COO)2 Fe(Ac)2,AQ Fe(1)C(4)H(6)O(4) ref:5 18.Sep.97 -201800. -259100. 11.53 12.1698 21.937 -2.8791 -3.6858 113.7691 34.487 -0.038 0. Zn(Ac)+ ZnCH3COO+ Zn(Ac)+ Zn(1)C(2)H(3)O(2)+(1) ref:5 18.Sep.97 -125660. -155120. 9.4 4.8484 4.06 4.1473 -2.9468 60.4626 14.5244 0.41 1. Zn(Ac)2,AQ Zn(CH3COO)2 Zn(Ac)2,AQ Zn(1)C(4)H(6)O(4) ref:5 18.Sep.97 -216450. -271500. 22.47 11.7443 20.8978 -2.4707 -3.6429 119.1022 36.3407 -0.038 0. Zn(Ac)3- Zn(CH3COO)3- Zn(Ac)3- Zn(1)C(6)H(9)O(6)-(1) ref:5A 2.Jun.98 -305740. -394542. 25. 20.0332 41.1373 -10.4257 -4.4796 203.1827 61.4365 1.2513 -1. Ca(Ac)+ CaCH3COO+ Ca(Ac)+ Ca(1)C(2)H(3)O(2)+(1) ref:G4 93 -221660. -245620. 12.500 5.9002 6.6232 3.1505 -3.0527 58.1976 13.8857 0.3636 1. Ca(Ac)2,AQ Ca(CH3COO)2 Ca(Ac)2,AQ Ca(1)C(4)H(6)O(4) ref:G4A 2.Jun.98 -310570. -363720. 32.300 12.9911 23.9379 -3.6556 -3.7685 115.9068 35.2043 -0.0300 0. Al(Ac)+2 AlCH3COO+2 Al(Ac)+2 Al(1)C(2)H(3)O(2)+(2) ref:G4 93 -208420. -249360. -63.100 2.4411 -1.8235 6.4722 -2.7035 67.0012 11.6689 2.0115 2. Al(Ac)2+ Al(CH3COO)2+ Al(Ac)2+ Al(1)C(4)H(6)O(4)+(1) ref:G4 93 -300240. -373010. -55.700 8.9971 14.1844 0.1805 -3.3653 117.8600 31.3303 1.3918 1. Al(Ac)3,AQ Al(CH3COO)3 Al(Ac)3,AQ Al(1)C(6)H(9)O(6) ref:G4 93 -391100. -498280. -57.000 16.0545 31.4184 -6.5970 -4.0777 156.5453 49.3293 -0.0300 0. ACETALDEHYDE,AQ CH3CHO ACAL(AQ) C(2)H(4)O(1) ref:G3 93 -33470. -50380. 33.000 7.6203 10.5479 2.1995 -3.2150 34.5782 -1.5128 -0.3686 0. BUTANAL,AQ CH3(CH2)2CHO BUAL(AQ) C(4)H(8)O(1) ref:G3 93 -28720. -61070. 46.600 11.9745 20.4152 -0.0393 -3.6229 69.2842 2.6762 -0.2798 0. DECANAL,AQ CH3(CH2)8CHO DEAL(AQ) C(10)H(20)O(1) ref:G3 93 -16600. -95290. 86.600 25.0370 50.0234 -6.7709 4.8469 173.4014 15.2436 -0.0133 0. FORMALDEHYDE,AQ HCHO FOAL(AQ) C(1)H(2)O(1) ref:G3A 2.Jun.98 -26130. -34663. 28.500 5.3113 5.3139 3.3901 -2.9986 18.9581 -3.4097 -0.3984 0. HEPTANAL,AQ CH3(CH2)5CHO HPAL(AQ) C(7)H(14)O(1) ref:G3 93 -21490. -77010. 66.500 18.5058 35.2192 -3.4052 -4.2349 121.3428 8.9599 -0.1465 0. HEXANAL,AQ CH3(CH2)4CHO HEAL(AQ) C(6)H(12)O(1) ref:G3 93 -24850. -72650. 59.800 16.3287 30.2824 -2.2778 -4.0308 103.9898 6.8654 -0.1909 0. NONANAL,AQ CH3(CH2)7CHO NOAL(AQ) C(9)H(18)O(1) ref:G3 93 -18100. -89060. 79.900 22.8599 45.0867 -5.6439 -4.6428 156.0486 13.1490 -0.0577 0. OCTANAL,AQ CH3(CH2)6CHO OCAL(AQ) C(8)H(16)O(1) ref:G3 93 -20310. -83550. 73.200 20.6828 40.1499 -4.5165 -4.4387 138.6956 22.0545 -0.1021 0. PENTANAL,AQ CH3(CH2)3CHO PEAL(AQ) C(5)H(10)O(1) ref:G3 93 -27020. -67100. 53.100 14.1516 25.3457 -1.1508 -3.8267 86.6370 4.7708 -0.2354 0. PROPANAL,AQ CH3CH2CHO PRAL(AQ) C(3)H(6)O(1) ref:G3 93 -32730. -57360. 39.700 9.7974 15.4784 1.0880 -3.4188 51.9312 0.5817 -0.3242 0. UOH+2 U(OH)+2 U(OH)+2 U(1)O(1)H(1)+(2) ref:G11 18.MAY.94 -161800. -167700. 1.2 2.8136 -0.9087 6.1004 -2.7413 -6.8963 -10.8973 1.0376 2. UO+ UO+ UO+ U(1)O(1)+(1) ref:G11 18.MAY.94 -152900. -153900. 17.5 2.9158 -0.6648 6.0168 -2.7514 -38.0715 -19.3305 0.2873 1. HUO2,AQ HUO2(AQ) HUO2(AQ) U(1)O(2)H(1) ref:G11 18.MAY.94 -198000. -205100. 52.9 5.1622 4.8252 3.8489 -2.9784 -78.8543 -32.4895 -0.0300 0. U(OH)+3 U(OH)+3 U(OH)+3 U(1)O(1)H(1)+(3) ref:G11 18.MAY.94 -182600. -198400. -47.8 2.1611 -2.5064 6.7390 -2.6753 37.5484 0.4894 2.3058 3. UO+2 UO+2 UO+2 U(1)O(1)+(2) ref:G11 18.MAY.94 -180600. -198400. -33.4 0.7898 -5.8463 8.0337 -2.5372 7.3127 -7.6585 1.5684 2. HUO2+ HUO2+ HUO2+ U(1)O(2)H(1)+(1) ref:G11 18.MAY.94 -233200. -254800. -11.4 3.2291 0.1055 5.7039 -2.7833 14.0517 -2.6271 0.7287 1. UO2,AQ UO2(AQ) UO2(AQ) U(1)O(2) ref:G11 28.MAr.94 -233800. -259700. -26. 2.4664 -1.7587 6.4404 -2.7062 17.0840 0.8561 -0.0300 0. HUO3- HUO3- HUO3- U(1)O(3)H(1)-(1) ref:G11 18.MAY.94 -274100. -321200. -41.3 3.1824 -0.0092 5.7491 -2.7785 68.0400 11.2651 2.2503 -1. UO2OH,AQ UO2OH(AQ) UO2OH(AQ) U(1)O(3)H(1) ref:G11 18.MAY.94 -261600. -295900. -13.9 3.7390 1.3467 5.2242 -2.8346 20.4246 2.0172 -0.0300 0. UO3- UO3- UO3- U(1)O(3)-(1) ref:G11 18.MAY.94 -236600. -272600. -19.5 4.1388 2.3272 4.8294 -2.8751 27.8024 -1.6697 1.9223 -1. UO2OH+ UO2OH+ UO2OH+ U(1)O(3)H(1)+(1) ref:G11 18.MAY.94 -277250. -301550. 4.1 4.7640 3.8529 4.2318 -2.9382 13.2240 -2.1586 0.4925 1. UO3,AQ UO3(AQ) UO3(AQ) U(1)O(3) ref:G11 18.MAY.94 -270300. -299600. -12.9 3.7801 1.4512 5.1736 -2.8389 5.4213 -3.1975 -0.0300 0. HUO4- HUO4- HUO4- U(1)O(4)H(1)-(1) ref:G11 18.MAY.94 -314800. -362900. -20.2 4.9364 4.2748 4.0637 -2.9556 36.9351 1.4672 1.9339 -1. UO4-2 UO4-2 UO4-2 U(1)O(4)-(2) ref:G11 18.MAY.94 -296000. -346200. -27.1 5.0964 4.6606 3.9223 -2.9716 13.5130 -12.0788 3.6219 -2. Fr+ Fr+ Fr+ Fr(1)+(1) ref:G9 11.Nov.97 -70500. -62500. 35.1 4.7139 3.7284 4.2849 -2.9330 2.5442 -4.3586 0.0203 1. OCN- OCN- OCN- O(1)C(1)N(1)-(1) ref:G9 11.Nov.97 -23280. -34900. 25.5 5.7591 6.2815 3.2790 -3.0386 8.3509 -6.2530 1.2422 -1. SCN- SCN- SCN- S(1)C(1)N(1)-(1) ref:G9 11.Nov.97 22160. 18270. 34.5 7.0244 9.3687 2.0708 -3.1662 10.7414 -4.9900 1.1073 -1. SeCN- SeCN- SeCN- Se(1)C(1)N(1)-(1) ref:G9 11.Nov.97 19500. 18530. 46.6 8.8752 13.8922 0.2829 -3.3532 13.0877 -3.5845 0.9230 -1. HNO2,AQ HNO2 HNO2(AQ) H(1)N(1)O(2) ref:G9 11.Nov.97 -12100. -28500. 32.4 5.9151 6.6590 3.1378 -3.0542 8.7050 -1.6697 -0.1507 0. H2N2O2,AQ H2N2O2 H2N2O2(AQ) H(2)N(2)O(2) ref:G9 11.Nov.97 8600. -13700. 52.0 8.6337 13.3019 0.5163 -3.3288 24.9004 4.9097 -0.4475 0. HN2O2- HNO2- HN2O2- H(1)N(2)O(2)-(1) ref:G9 11.Nov.97 18200. -9400. 34.0 6.5748 8.2753 2.4914 -3.1210 21.8724 -1.1401 1.1132 -1. N2O2-2 N2O2-2 N2O2-2 N(2)O(2)-(2) ref:G9 11.Nov.97 33200. -2590. 6.6 3.3102 0.2986 5.6380 -2.7912 0.1067 -15.1139 3.1145 -2. N2H5+ N2H5+ N2H5+ N(2)H(5)+(1) ref:G9 11.Nov.97 19700. -1800. 36.1 5.5711 5.8193 3.4672 -3.0195 16.0644 0.3876 0.0057 1. N2H6+2 N2H6+2 N2H6+2 N(2)H(6)+(2) ref:G9 11.Nov.97 21100. -4000. 24.0 4.4762 3.1468 4.5160 -2.9090 21.7574 0.1635 0.6936 2. H3PO2,AQ H3PO2 H3PO2(AQ) H(3)P(1)O(2) ref:G9 11.Nov.97 -125100. -145600. 36.9 6.5352 8.1731 2.5430 -3.1168 12.4140 -0.1623 -0.2188 0. H2PO2- H2PO2- H2PO2- H(2)P(1)O(2)-(1) ref:G9 11.Nov.97 -122400. -146700. 24.1 5.2026 4.9190 3.8223 -2.9823 13.7063 -4.4604 1.2637 -1. H3PO3,AQ H3PO3 H3PO3(AQ) H(3)P(1)O(3) ref:G9 11.Nov.97 -204800. -230600. 43.6 4.2704 2.6439 4.7145 -2.8882 17.9261 2.0783 -0.3203 0. H2PO3- H2PO3- H2PO3- H(2)P(1)O(3)-(1) ref:G9 11.Nov.97 -202350. -231700. 31.7 4.1649 2.3899 4.8065 -2.8777 19.9762 -1.9142 1.1491 -1. HPO3-2 HPO3-2 HPO3-2 H(1)P(1)O(3)-(2) ref:G9 11.Nov.97 -194000. -231600. 4.0 3.4463 0.6347 5.4974 -2.8051 11.6523 -11.2232 3.1527 -2. P2O7-4 P2O7-4 P2O7-4 P(2)O(7)-(4) ref:G9 11.Nov.97 -458700. -542800. -28.0 7.0687 9.4773 2.0273 -3.1707 -11.7223 -31.3692 6.9069 -4. HP2O7-3 HP2O7-3 HP2O7-3 H(1)P(2)O(7)-(3) ref:G9 11.Nov.97 -471400. -543700. 11.0 8.3302 12.5558 0.8208 -3.2980 32.1587 -8.8807 4.6470 -3. H4P2O7,AQ H4P2O7 H4P2O7(AQ) H(4)P(2)O(7) ref:G9 11.Nov.97 -485700. -542200. 64.0 9.2975 14.9199 -0.1130 -3.3957 34.8301 8.9430 -0.6292 0. AsO4-3 AsO4-3 AsO4-3 As(1)O(4)-(3) ref:G9 11.Nov.97 -154970. -212270. -38.9 1.0308 -5.2609 7.8091 -2.5614 -12.1352 -26.6841 5.3990 -3. H3AsO4,AQ H3AsO4 H3AsO4(AQ) H(3)As(1)O(4) ref:G9 11.Nov.97 -183100. -215700. 44.0 7.9357 11.5925 1.1990 -3.2581 18.2805 2.2209 -0.3263 0. AsO2- AsO2- AsO2- As(1)O(2)-(1) ref:G9 11.Nov.97 -83650. -102540. 9.7 3.2101 0.0554 5.7305 -2.7812 3.4104 -8.7381 1.4820 -1. HAsO2,AQ HAsO2 HAsO2(AQ) H(1)As(1)O(2) ref:G9 11.Nov.97 -96240. -109110. 30.1 5.5984 5.8913 3.4280 -3.0224 6.7990 -2.4438 -0.1158 0. HSbO2,AQ HSbO2 HSbO2(AQ) H(1)Sb(1)O(2) ref:G9 11.Nov.97 -97400. -116600. 11.1 2.9726 -0.5203 5.9475 -2.7574 -8.9525 -8.8400 0.1719 0. SbO2- SbO2- SbO2- Sb(1)O(2)-(1) ref:G9 11.Nov.97 -82400. -110000. -17.1 -0.5113 -9.0269 9.2893 -2.4057 -2.2802 -12.0177 1.8885 -1. Sb(OH)3,AQ Sb(OH)3(0) Sb(OH)3(aq) Sb(1)O(3)H(3)+(0) ref:Bess 16.Jun.05 -154010.0 -178368.1 49.43 9.1415 14.5397 0.063 -3.3801 28.6838 4.9284 -0.038 0. Sb(OH)4- Sb(OH)4(-) Sb(OH)4- Sb(1)O(4)H(4)-(1) ref:Bess 16.Jun.05 -195038.0 -238149.3 42.28 8.1966 12.2325 0.9671 -3.2847 28.6515 1.6426 0.9815 -1. H2Sb2S4,AQ H2Sb2S4(0) H2Sb2S4(aq) H(2)Sb(2)S(4)+(0) ref:Bess 16.Jun.05 -35488.0 -36385.0 69.36 11.4268 20.1196 -2.1236 -3.6107 47.5025 11.4892 -0.038 0. HSb2S4- HSb2S4(-) HSb2S4- H(1)Sb(2)S(4)-(1) ref:Bess 16.Jun.05 -28583.0 -35043.5 50.70 8.9913 14.1728 0.2068 -3.3649 33.0864 3.5984 0.854 -1. Sb2S4-2 Sb2S4(-2) Sb2S4-2 Sb(2)S(4)-(2) ref:Bess 16.Jun.05 -15622.0 -24563.1 42.38 8.7546 13.5948 0.4332 -3.341 12.3553 -9.2424 2.6016 -2. Bi+3 Bi+3 Bi+3 Bi(1)+(3) ref:G9 11.Nov.97 22880. 19360. -45. -1.0957 -10.4536 9.8506 -2.3467 27.5027 -2.8715 2.2651 3. BiO+ BiO+ BiO+ Bi(1)O(1)+(1) ref:G9 13.Nov.97 -29300. -30300. 19.1 2.9487 -0.5825 5.9810 -2.7548 -39.8159 -19.8601 0.2634 1. BiOH+2 BiOH+2 BiOH+2 Bi(1)O(1)H(1)+(2) ref:G9 13.Nov.97 -32300. -44800. -19.5 2.4693 -1.7539 6.4433 -2.7064 9.8610 -6.0900 1.3552 2. HBiO2,AQ HBiO2(0) HBiO2(AQ) H(1)Bi(1)O(2)+(0) ref:G9 13.Nov.97 -79300. -86300. 54.6 5.2306 4.9892 3.7912 -2.9852 -81.1398 -33.2840 -0.0300 0. BiO2- BiO2- BiO2- Bi(1)O(2)-(1) ref:G9 13.Nov.97 -61700. -71600. 45.1 5.2319 4.9920 3.7909 -2.9853 -59.7858 -28.9859 0.9456 -1. H2O2,AQ H2O2 H2O2(AQ) H(2)O(2) ref:G9 11.Nov.97 -32030. -45690. 34.4 6.1922 7.3370 2.8686 -3.0822 10.3600 -0.9975 -0.1809 0. HClO2,AQ HClO2 HClO2(AQ) H(1)Cl(1)O(2) ref:G9 13.Nov.97 1400. -12400. 45.0 7.6706 10.9455 1.4527 -3.2314 19.1373 2.5672 -0.3415 0. HIO3,AQ HIO3 HIO3(AQ) H(1)I(1)O(3) ref:G9 13.Nov.97 -31700. -50500. 39.9 6.8346 8.9050 2.2530 -3.1470 14.8674 0.8357 -0.2642 0. V+2 V+2 V+2 V(1)+(2) ref:G9 13.Nov.97 -52000. -54000. -31. -1.6188 -11.7289 10.3473 -2.2940 13.8458 -5.2548 1.5269 2. V+3 V+3 V+3 V(1)+(3) ref:G9 13.Nov.97 -57900. -62000. -55. -1.7304 -11.9981 10.4465 -2.2829 23.4604 -4.7456 2.4115 3. VO4-3 VO4-3 VO4-3 V(1)O(4)-(3) ref:G9 13.Nov.97 -214900. -270600. -35.2 1.2579 -4.7015 7.5797 -2.5845 77.6555 4.7060 5.3424 -3. Cr+2 Cr+2 Cr+2 Cr(1)+(2) ref:G9 13.Nov.97 -39400. -39000. -24.2 -0.8036 -9.7400 9.5688 -2.3762 15.0502 -4.5215 1.4287 2. Cr+3 Cr+3 Cr+3 Cr(1)+(3) ref:G9 07.Nov.97 -49300. -60000. -77. -2.7824 -14.5709 11.4661 -2.1765 17.9914 -7.6992 2.7403 3. CrOH+2 CrOH+2 CrOH+2 Cr(1)O(1)H(1)+(2) ref:G9 13.Nov.97 -100500. -118600. -46.1 -2.6482 -14.2423 11.3347 -2.1901 31.4127 0.1024 1.7607 2. CrO+ CrO+ CrO+ Cr(1)O(1)+(1) ref:G9 13.Nov.97 -92800. -105000. -26.3 -1.1728 -10.6385 9.9161 -2.3391 -3.1901 -9.3085 0.9437 1. HCrO2,AQ HCrO2(0) HCrO2(AQ) H(1)Cr(1)O(2)+(0) ref:G9 13.Nov.97 -138100. -157300. 6.0 1.5359 -4.0259 7.3211 -2.6125 -16.2043 -10.7140 -0.0300 0. CrO2- CrO2- CrO2- Cr(1)O(2)-(1) ref:G9 13.Nov.97 -125300. -148300. -6.7 1.2013 -4.8403 7.6350 -2.5788 10.0021 -7.2511 1.7331 -1. Zr+4 Zr+4 Zr+4 Zr(1)+(4) ref:G9 13.Nov.97 -133270. -150330. -110.3 -4.3670 -18.4377 12.9811 -2.0167 39.7423 -3.6660 3.8417 4. ZrOH+3 Zr(OH)+3 ZrOH+3 Zr(1)O(1)H(1)+(3) ref:G9 14.Nov.97 -190400. -212500. -71.6 0.9279 -5.5093 7.9015 -2.5511 56.7436 6.0097 2.6654 3. ZrO+2 ZrO+2 ZrO+2 Zr(1)O(1)+(2) ref:G9 14.Nov.97 -187600. -204300. -53.4 1.9014 -3.1364 6.9769 -2.6492 23.3712 -3.0141 1.8611 2. HZrO2+ HZrO2+ HZrO2+ Zr(1)O(2)H(1)+(1) ref:G9 14.Nov.97 -239700. -265300. -49.7 2.1106 -2.6299 6.7878 -2.6702 70.5343 15.1558 1.3060 1. ZrO2,AQ ZrO2(AQ) ZrO2(AQ) Zr(1)O(2)+(0) ref:G9 14.Nov.97 -233400. -263800. -43.7 1.8643 -3.2264 7.0119 -2.6455 38.4166 8.2708 -0.0300 0. HZrO3- HZrO3- HZrO3- Zr(1)O(3)H(1)-(1) ref:G9 14.Nov.97 -281500. -333300. -32.7 3.5625 0.9168 5.3901 -2.8168 55.3517 7.2726 2.1199 -1. HNbO3,AQ HNbO3(0) HNbO3(AQ) H(1)Nb(1)O(3)+(0) ref:G9 15.Mar.95 -236800. -257950. 31.1 5.7110 6.1642 3.3252 -3.0337 20.2299 3.3616 -0.4710 0. NbO3- NbO3- NbO3- Nb(1)O(3)-(1) ref:G9 13.Nov.97 -227100. -255300. 3.2 5.0915 4.6485 3.9273 -2.9711 -3.3376 -11.4066 1.5829 -1. TcO4- TcO4- TcO4- Tc(1)O(4)-(1) ref:G9 07.Nov.97 -151100. -173200. 47.5 8.6135 18.7256 -13.3543 -3.5530 18.95 -5.95 0.9101 -1. Pm+2 Pm+2 Pm+2 Pm(1)+(2) ref:G9 13.Nov.97 -92700. -88400. -1.9 0.0520 -7.6511 8.7496 -2.4626 9.4303 -5.3771 1.0858 2. Pm+3 Pm+3 Pm+3 Pm(1)+(3) ref:G9 13.Nov.97 -158000. -164000. -50. -3.2471 -15.7059 11.9125 -2.1296 1.5577 -12.1195 2.3369 3. Pm+4 Pm+4 Pm+4 Pm(1)+(4) ref:G9 13.Nov.97 -34200. -50400. -99.7 -4.2836 -18.2319 12.8955 -2.0252 40.2193 -2.9938 3.6835 4. Hf+4 Hf+4 Hf+4 Hf(1)+(4) ref:G9 13.Nov.97 -132600. -150250. -111.2 -4.3761 -18.4638 12.9996 -2.0156 39.6914 -3.7271 3.8552 4. HfOH+3 HfOH+3 HfOH+3 Hf(1)O(1)H(1)+(3) ref:G9 14.Nov.97 -189000. -211800. -72.8 0.9047 -5.5670 7.9267 -2.5488 57.6774 6.2949 2.6777 3. HfO+2 HfO+2 HfO+2 Hf(1)O(1)+(2) ref:G9 14.Nov.97 -186000. -200900. -46.2 2.0179 -2.8551 6.8743 -2.6609 17.6401 -4.6845 1.7607 2. HHfO2+ HHfO2+1 HHfO2+ H(1)Hf(1)O(2)+(1) ref:G9 14.Nov.97 -237800. -264200. -51.0 2.0629 -2.7421 6.8221 -2.6655 72.4834 15.7669 1.3268 1. HfO2,AQ HfO2(0) HfO2(AQ) Hf(1)O(2)+(0) ref:G9 14.Nov.97 -231400. -262600. -45.1 1.8096 -3.3639 7.0739 -2.6398 40.1163 8.8615 -0.0300 0. HHfO3- HHfO3(-1) HHfO3- H(1)Hf(1)O(3)-(1) ref:G9 14.Nov.97 -279200. -331800. -34.3 3.4908 0.7427 5.4561 -2.8096 57.7445 8.0059 2.1506 -1. La+2 La+2 La+2 La(1)+(2) ref:G9 13.Nov.97 -77700. -72200. 0.7 0.1064 -7.5128 8.6835 -2.4683 8.7551 -5.4789 1.0444 2. LaCO3+ LaCO3+ LaCO3+ La(1)C(1)O(3)+(1) ref:G8A 2.Jun.98 -299900. -334810. -44.2 -0.8237 -9.7872 9.5838 -2.3743 -20.0908 -16.0917 1.2275 1. LaHCO3+2 LaHCO3+2 LaHCO3+2 La(1)H(1)C(1)O(3)+(2) ref:G8 21.Jan.98 -307000. -332900. -13.7 0.8988 -5.5828 7.9358 -2.5481 38.0197 3.9723 1.2693 2. LaOH+2 LaOH+2 LaOH+2 La(1)O(1)H(1)+(2) ref:G8A 2.Jun.98 -208900. -217580. -6.6 2.6766 -1.2486 6.2460 -2.7273 -0.5065 -9.0640 1.1586 2. LaO+ LaO+ LaO+ La(1)O(1)+(1) ref:G8A 2.Jun.98 -195900. -199870. 9.2 2.7794 -0.9938 6.1373 -2.7378 -31.7836 -17.5379 0.4100 1. LaO2H,AQ LaO2H(AQ) LaO2H(AQ) La(1)O(2)H(1) ref:G8 21.Jan.98 -239300. -249500. 44.0 4.8611 4.0853 4.1503 -2.9478 -66.8987 -28.3340 -0.0300 0. LaO2- LaO2- LaO2- La(1)O(2)-(1) ref:G8A 2.Jun.98 -221700. -234950. 33.8 4.8931 4.1637 4.1178 -2.9510 -44.4914 -24.2193 1.1172 -1. LaCl+2 LaCl+2 LaCl+2 La(1)Cl(1)+(2) ref:G8 21.Jan.98 -195800. -206100. -25.7 0.0273 -7.7112 8.7724 -2.4601 16.8429 -3.9594 1.4477 2. LaCl2+ LaCl2+ LaCl2+ La(1)Cl(2)+(1) ref:G8 21.Jan.98 -226700. -244900. -9.6 3.1785 -0.0177 5.7515 -2.7782 6.8244 -5.0483 0.7003 1. LaCl3,AQ LaCl3(AQ) LaCl3(AQ) La(1)Cl(3) ref:G8A 2.Jun.98 -257600. -286480. -3.3 6.7243 8.6386 2.3517 -3.1360 -25.3096 -13.8787 -0.0300 0. LaCl4- LaCl4- LaCl4- La(1)Cl(4)-(1) ref:G8 21.Jan.98 -288400. -331200. -7.8 11.5517 20.4270 -2.2839 -3.6234 -56.5845 -30.4508 1.7506 -1. LaNO3+2 LaNO3+2 LaNO3+2 La(1)N(1)O(3)+(2) ref:G8 21.Jan.98 -191300. -226000. -37.8 1.6239 -3.8134 7.2430 -2.6213 32.7363 0.9705 1.6332 2. LaF+2 LaF+2 LaF+2 La(1)F(1)+(2) ref:G8 21.Jan.98 -236600. -243400. -16.3 -2.6366 -14.2103 11.3144 -2.1914 17.9127 -3.1239 1.3029 2. LaF2+ LaF2+ LaF2+ La(1)F(2)+(1) ref:G8 21.Jan.98 -307800. -325200. -12.0 -2.3404 -13.4887 11.0343 -2.2213 12.8261 -3.0531 0.7287 1. LaF3,AQ LaF3(AQ) LaF3(AQ) La(1)F(3) ref:G8 21.Jan.98 -377900. -410200. -22.3 -2.0506 -12.7816 10.7577 -2.2505 -15.3002 -10.3998 -0.0300 0. LaF4- LaF4- LaF4- La(1)F(4)-(1) ref:G8 21.Jan.98 -447500. -500100. -50.4 -0.6263 -9.3060 9.3958 -2.3942 -35.5432 -25.1639 2.3834 -1. LaH2PO4+2 LaH2PO4+2 LaH2PO4+2 La(1)H(2)P(1)O(4)+(2) ref:G8A 2.Jun.98 -437600. -482800. -30.2 1.8993 -3.1434 6.9845 -2.6490 41.8879 4.5243 1.5168 2. LaSO4+ LaSO4+ LaSO4+ La(1)S(1)O(4)+(1) ref:G8 21.Jan.98 -346900. -382600. -16.0 1.6077 -3.8530 7.2584 -2.6197 -27.1374 -15.0529 0.7895 1. CeCO3+ CeCO3+ CeCO3+ Ce(1)C(1)O(3)+(1) ref:G8A 2.Jun.98 -297887. -332620. -40.6 -0.9160 -10.0134 9.6736 -2.3649 -21.4145 -16.3769 1.1729 1. CeHCO3+2 CeHCO3+2 CeHCO3+2 Ce(1)H(1)C(1)O(3)+(2) ref:G8A 2.Jun.98 -304500. -330200. -9.5 0.6941 -6.0823 8.1309 -2.5275 35.5792 3.3307 1.2048 2. CeOH+2 CeOH+2 CeOH+2 Ce(1)O(1)H(1)+(2) ref:G8A 2.Jun.98 -206800. -215210. -2.7 2.7525 -1.0606 6.1673 -2.7351 -3.6840 -9.9807 1.1000 2. CeO+ CeO+ CeO+ Ce(1)O(1)+(1) ref:G8A 2.Jun.98 -195900. -199510. 13.4 2.8409 -0.8430 6.0772 -2.7441 -35.2162 -18.5361 0.3491 1. CeO2H,AQ CeO2H(AQ) CeO2H(AQ) Ce(1)O(2)H(1) ref:G8 21.Jan.98 -239300. -249500. 48.5 5.0117 4.4582 3.9917 -2.9632 -72.9937 -30.4525 -0.0300 0. CeO2- CeO2- CeO2- Ce(1)O(2)-(1) ref:G8A 2.Jun.98 -222100. -234820. 38.6 5.0465 4.5418 3.9626 -2.9667 -51.0768 -26.2767 1.0449 -1. CeCl+2 CeCl+2 CeCl+2 Ce(1)Cl(1)+(2) ref:G8 21.Jan.98 -193400. -203800. -22.1 -0.1746 -8.1993 8.9525 -2.4399 14.4780 -4.6011 1.3914 2. CeCl2+ CeCl2+ CeCl2+ Ce(1)Cl(2)+(1) ref:G8A 2.Jun.98 -224400. -242300. -5.1 2.9511 -0.5763 5.9777 -2.7551 2.5793 -6.3002 0.6305 1. CeCl3,AQ CeCl3(AQ) CeCl3(AQ) Ce(1)Cl(3) ref:G8A 2.Jun.98 -255200. -283500. 2.6 6.4972 8.0855 2.5659 -3.1132 -31.3975 -15.9948 -0.0300 0. CeCl4- CeCl4- CeCl4- Ce(1)Cl(4)-(1) ref:G8A 2.Jun.98 -286100. -327600. 0.3 11.2558 19.7046 -2.0003 -3.5935 -67.0564 -33.6847 1.6238 -1. CeH2PO4+2 CeH2PO4+2 CeH2PO4+2 Ce(1)H(2)P(1)O(4)+(2) ref:G8A 2.Jun.98 -435100. -480100. -25.9 1.6930 -3.6450 7.1770 -2.6282 39.4058 3.8826 1.4477 2. CeNO3+2 CeNO3+2 CeNO3+2 Ce(1)N(1)O(3)+(2) ref:G8 2.Jun.98 -189900. -223200. -32.2 1.4120 -4.3253 7.4319 -2.6001 30.1006 0.3288 1.5475 2. CeF+2 CeF+2 CeF+2 Ce(1)F(1)+(2) ref:G8 21.Jan.98 -234700. -242000. -14.3 -2.8281 -14.6820 11.5084 -2.1719 15.8334 -3.7656 1.2776 2. CeF2+ CeF2+ CeF2+ Ce(1)F(2)+(1) ref:G8 21.Jan.98 -306200. -324100. -10.1 -2.5538 -14.0092 11.2373 -2.1998 8.9628 -4.3051 0.7003 1. CeF3,AQ CeF3(AQ) CeF3(AQ) Ce(1)F(3) ref:G8 21.Jan.98 -376600. -409300. -19.7 -2.2777 -13.3348 10.9718 -2.2276 -21.3883 -12.5158 -0.0300 0. CeF4- CeF4- CeF4- Ce(1)F(4)-(1) ref:G8 21.Jan.98 -446500. -498900. -46.1 -0.8995 -9.9693 9.6488 -2.3668 -45.3959 -28.3978 2.3239 -1. CeBr+2 CeBr+2 CeBr+2 Ce(1)Br(1)+(2) ref:G8 21.Jan.98 -186988. -195709. -25.01 0.8072 -5.8045 8.0178 -2.5389 13.8428 -4.9716 1.4382 2. CeIO3+2 CeIO3+2 CeIO3+2 Ce(1)I(1)O(3)+(2) ref:G8 21.Jan.98 -194792. -225358. -28.97 0.9706 -5.4027 7.8548 -2.5556 29.8495 0.4044 1.4967 2. CeClO4+2 CeClO4+2 CeClO4+2 Ce(1)Cl(1)O(4)+(2) ref:G8 21.Jan.98 -166246. -210026. -36.06 3.5099 0.7863 5.4456 -2.8114 42.4445 4.4497 1.6005 2. CeSO4+ CeSO4+ CeSO4+ Ce(1)S(1)O(4)+(1) ref:G8A 2.Jun.98 -334500. -380200. -12.6 1.5220 -4.0622 7.3397 -2.6110 -22.4285 -15.3380 0.7384 1. PrCO3+ PrCO3+ PrCO3+ Pr(1)C(1)O(3)+(1) ref:G8A 2.Jun.98 -299100. -334510. -41.8 -1.0523 -10.3427 9.7957 -2.3513 -22.3638 -16.7639 1.1907 1. PrHCO3+2 PrHCO3+2 PrHCO3+2 Pr(1)H(1)C(1)O(3)+(2) ref:G8 21.Jan.98 -305500. -336800. -28.3 0.4387 -6.7049 8.3735 -2.5017 35.6716 2.4598 1.4867 2. PrCl+2 PrCl+2 PrCl+2 Pr(1)Cl(1)+(2) ref:G8 21.Jan.98 -194400. -205300. -23.3 -0.5190 -9.0442 9.2930 -2.4050 12.1429 -5.4719 1.4099 2. PrCl2+ PrCl2+ PrCl2+ Pr(1)Cl(2)+(1) ref:G8 21.Jan.98 -225400. -243800. -6.6 2.5689 -1.5094 6.3442 -2.7165 -2.0764 -7.9993 0.6557 1. PrCl3,AQ PrCl3(AQ) PrCl3(AQ) Pr(1)Cl(3) ref:G8A 2.Jun.98 -256300. -285200. 0.6 6.0618 7.0173 2.9974 -3.0690 -39.6599 -18.8665 -0.0300 0. PrCl4- PrCl4- PrCl4- Pr(1)Cl(4)-(1) ref:G8 21.Jan.98 -287100. -329500. -2.4 10.7857 18.5526 -1.5382 -3.5459 -79.2757 -38.0736 1.6681 -1. PrH2PO4+2 PrH2PO4+2 PrH2PO4+2 Pr(1)H(2)P(1)O(4)+(2) ref:G8A 2.Jun.98 -436000. -481500. -27.3 1.3489 -4.4844 7.5048 -2.5935 37.0786 3.0118 1.4671 2. PrNO3+2 PrNO3+2 PrNO3+2 Pr(1)N(1)O(3)+(2) ref:G8 21.Jan.98 -190000. -224900. -34.0 1.0684 -5.1660 7.7658 -2.5653 27.7877 -0.5419 1.5684 2. PrF+2 PrF+2 PrF+2 Pr(1)F(1)+(2) ref:G8 21.Jan.98 -235700. -243400. -15.0 -3.1759 -15.5305 11.8402 -2.1369 13.4052 -4.6364 1.2860 2. PrF2+ PrF2+ PrF2+ Pr(1)F(2)+(1) ref:G8 21.Jan.98 -307300. -325600. -10.7 -2.9414 -14.9592 11.6187 -2.1605 4.1602 -6.0041 0.7096 1. PrF3,AQ PrF3(AQ) PrF3(AQ) Pr(1)F(3) ref:G8 21.Jan.98 -377800. -410800. -20.5 -2.7130 -14.4032 11.4035 -2.1835 -29.6505 -15.3876 -0.0300 0. PrF4- PrF4- PrF4- Pr(1)F(4)-(1) ref:G8 21.Jan.98 -447700. -500700. -47.6 -1.3780 -11.1430 10.1215 -2.3182 -57.8444 -32.7867 2.3433 -1. PrOH+2 PrOH+2 PrOH+2 Pr(1)O(1)H(1)+(2) ref:G8A 2.Jun.98 -208000. -217110. -4.0 2.7325 -1.1081 6.1822 -2.7331 -2.6058 -9.6751 1.1216 2. PrO+ PrO+ PrO+ Pr(1)O(1)+(1) ref:G8A 2.Jun.98 -195700. -200040. 12.0 2.8201 -0.8945 6.0986 -2.7419 -34.0998 -18.2101 0.3685 1. PrO2H,AQ PrO2H(AQ) PrO2H(AQ) Pr(1)O(2)H(1) ref:G8 21.Jan.98 -239700. -250100. 47.0 4.9706 4.3537 4.0423 -2.9589 -74.0012 -29.7599 -0.0300 0. PrO2- PrO2- PrO2- Pr(1)O(2)-(1) ref:G8A 2.Jun.98 -224700. -238210. 37.0 5.0000 4.4265 4.0111 -2.9619 -48.8607 -25.5841 1.0691 -1. PrSO4+ PrSO4+ PrSO4+ Pr(1)S(1)O(4)+(1) ref:G8A 2.Jun.98 -335500. -381500. -13.1 -1.3885 -4.3882 7.4678 -2.5975 -23.4508 -15.7251 0.7483 1. NdCO3+ NdCO3+ NdCO3+ Nd(1)C(1)O(3)+(1) ref:G8A 2.Jun.98 -297300. -332330. -41.2 -1.1199 -10.5088 9.8634 -2.3445 -24.1105 -17.3139 1.1729 1. NdHCO3+2 NdHCO3+2 NdHCO3+2 Nd(1)H(1)C(1)O(3)+(2) ref:G8 21.Jan.98 -303400. -329200. -10.2 0.1936 -7.3045 8.6115 -2.4769 29.5859 1.2224 1.2126 2. NdOH+2 NdOH+2 NdOH+2 Nd(1)O(1)H(1)+(2) ref:G8A 2.Jun.98 -206200. -214900. -3.3 2.7413 -1.0874 6.1755 -2.7339 -3.2077 -9.8381 1.1072 2. NdO+ NdO+ NdO+ Nd(1)O(1)+(1) ref:G8A 2.Jun.98 -194000. -197930. 12.7 2.8304 -0.8716 6.0955 -2.7429 -34.6589 -18.3731 0.3587 1. NdO2H,AQ NdO2H(AQ) NdO2H(AQ) Nd(1)O(2)H(1) ref:G8 21.Jan.98 -238000. -248000. 47.8 4.9843 4.3865 4.0304 -2.9602 -71.9974 -30.1062 -0.0300 0. NdO2- NdO2- NdO2- Nd(1)O(2)-(1) ref:G8A 2.Jun.98 -223400. -236470. 37.8 5.0229 4.4850 3.9825 -2.9643 -49.9788 -25.9304 1.0559 -1. NdCl+2 NdCl+2 NdCl+2 Nd(1)Cl(1)+(2) ref:G8 21.Jan.98 -192400. -203000. -22.7 -0.6746 -9.4228 9.439 -2.3894 8.4972 -6.7094 1.4006 2. NdCl2+ NdCl2+ NdCl2+ Nd(1)Cl(2)+(1) ref:G8 21.Jan.98 -223400. -241500. -5.9 2.3933 -1.9354 6.5057 -2.6989 -9.1790 -10.4138 0.6388 1. NdCl3,AQ NdCl3(AQ) NdCl3(AQ) Nd(1)Cl(3) ref:G8A 2.Jun.98 -254300. -282730. 1.6 5.8726 6.5582 3.1706 -3.0500 -51.4009 -22.9475 -0.0300 0. NdCl4- NdCl4- NdCl4- Nd(1)Cl(4)-(1) ref:G8A 2.Jun.98 -285100. -327000. -1.1 10.5672 18.0205 -1.3324 -3.5239 -97.4278 -44.3105 1.6455 -1. NdH2PO4+2 NdH2PO4+2 NdH2PO4+2 Nd(1)H(2)P(1)O(4)+(2) ref:G8A 2.Jun.98 -433891. -479076. -26.57 1.1931 -4.8625 7.6492 -2.5779 33.4289 1.7743 1.4574 2. NdNO3+2 NdNO3+2 NdNO3+2 Nd(1)N(1)O(3)+(2) ref:G8 21.Jan.98 -188185. -222586. -33.09 0.9124 -5.5498 7.9230 -2.5495 24.1306 -1.7794 1.5579 2. NdF+2 NdF+2 NdF+2 Nd(1)F(1)+(2) ref:G8 21.Jan.98 -233900. -241200. -14.6 -3.3312 -15.9098 11.9894 -2.1212 9.7675 -5.8738 1.2776 2. NdF2+ NdF2+ NdF2+ Nd(1)F(2)+(1) ref:G8 21.Jan.98 -305600. -323500. -10.4 -3.1113 -15.3752 11.7849 -2.1433 -2.7862 -8.4186 0.7096 1. NdF3,AQ NdF3(AQ) NdF3(AQ) Nd(1)F(3) ref:G8 21.Jan.98 -376100. -408900. -20.1 -2.9023 -14.8620 11.5767 -2.1645 -41.3917 -19.4685 -0.0300 0. NdF4- NdF4- NdF4- Nd(1)F(4)-(1) ref:G8 21.Jan.98 -446100. -498700. -46.8 -1.5889 -11.6574 10.3228 -2.2970 -75.7884 -39.0236 2.3433 -1. NdSO4+ NdSO4+ NdSO4+ Nd(1)S(1)O(4)+(1) ref:G8 21.Jan.98 -343500. -379100. -12.3 1.3167 -4.5634 7.5367 -2.5903 -25.1244 -16.2751 0.7484 1. SmCO3+ SmCO3+ SmCO3+ Sm(1)C(1)O(3)+(1) ref:G8A 2.Jun.98 -296000. -331340. -42.6 -1.0455 -10.3293 9.7980 -2.3519 -24.0049 -17.3342 1.1907 1. SmOH+2 SmOH+2 SmOH+2 Sm(1)O(1)H(1)+(2) ref:G8A 2.Jun.98 -204900. -213970. -4.9 2.7076 -1.1676 6.2027 -2.7306 -1.9523 -9.4714 1.1289 2. SmO+ SmO+ SmO+ Sm(1)O(1)+(1) ref:G8A 2.Jun.98 -193300. -197630. 11.0 2.8115 -0.9157 6.1076 -2.7410 -33.2571 -17.9657 0.3837 1. SmO2H,AQ SmO2H(AQ) SmO2H(AQ) Sm(1)O(2)H(1) ref:G8 21.Jan.98 -237100. -247700. 45.9 4.9296 4.2552 4.0768 -2.9548 -69.5359 -29.2507 -0.3000 0. SmO2- SmO2- SmO2- Sm(1)O(2)-(1) ref:G8A 2.Jun.98 -224700. -238220. 35.9 4.9642 4.3393 4.0456 -2.9583 -47.3681 -25.1156 1.0848 -1. SmHCO3+2 SmHCO3+2 SmHCO3+2 Sm(1)H(1)C(1)O(3)+(2) ref:G8 21.Jan.98 -301800. -327900. -11.9 0.3694 -6.8727 8.4365 -2.4948 29.6747 1.1765 1.2366 2. SmCl+2 SmCl+2 SmCl+2 Sm(1)Cl(1)+(2) ref:G8 21.Jan.98 -190900. -201700. -24.1 -0.5006 -8.9988 9.2743 -2.4069 8.5369 -6.7552 1.4192 2. SmCl2+ SmCl2+ SmCl2+ Sm(1)Cl(2)+(1) ref:G8 21.Jan.98 -221800. -240300. -7.7 2.5888 -1.4617 6.3276 -2.7185 -9.2005 -10.5032 0.6644 1. SmCl3,AQ SmCl3(AQ) SmCl3(AQ) Sm(1)Cl(3) ref:G8 21.Jan.98 -252700. -281700. -0.7 6.0808 7.0673 2.9692 -3.0711 -51.8359 -23.0986 -0.0300 0. SmCl4- SmCl4- SmCl4- Sm(1)Cl(4)-(1) ref:G8 21.Jan.98 -283500. -326200. -4.3 10.8148 18.6261 -1.5732 -3.5489 -97.6675 -44.5415 1.6917 -1. SmH2PO4+2 SmH2PO4+2 SmH2PO4+2 Sm(1)H(2)P(1)O(4)+(2) ref:G8A 2.Jun.98 -432300. -477800. -28.3 1.3708 -4.4295 7.4801 -2.5958 33.5675 1.7285 1.4867 2. SmNO3+2 SmNO3+2 SmNO3+2 Sm(1)N(1)O(3)+(2) ref:G8 21.Jan.98 -186700. -221600. -35.4 1.0908 -5.1124 7.7478 -2.5676 24.2912 -1.8252 1.5897 2. SmF+2 SmF+2 SmF+2 Sm(1)F(1)+(2) ref:G8 21.Jan.98 -232400. -239900. -15.4 -3.1578 -15.4843 11.8177 -2.1388 9.7908 -5.9197 1.2944 2. SmF2+ SmF2+ SmF2+ Sm(1)F(2)+(1) ref:G8 21.Jan.98 -304200. -322200. -11.2 -2.9212 -14.9061 11.5895 -2.1627 -2.9564 -8.5080 0.7191 1. SmF3,AQ SmF3(AQ) SmF3(AQ) Sm(1)F(3) ref:G8 21.Jan.98 -374800. -407700. -21.2 -2.6941 -14.3529 11.3752 -2.1856 -41.8267 -19.6196 -0.0300 0. SmF4- SmF4- SmF4- Sm(1)F(4)-(1) ref:G8 21.Jan.98 -444800. -497700. -48.5 -1.3502 -11.0723 10.0878 -2.3212 -76.2703 -39.2546 2.3632 -1. SmSO4+ SmSO4+ SmSO4+ Sm(1)S(1)O(4)+(1) ref:G8 21.Jan.98 -342000. -377800. -13.3 -1.3885 -4.3882 7.4678 -2.5975 -25.0918 -16.2954 0.7483 1. EuCO3+ EuCO3+ EuCO3+ Eu(1)C(1)O(3)+(1) ref:G8A 2.Jun.98 -274300. -311270. -45.4 -0.9842 -10.1779 9.7343 -2.3581 -19.5642 -15.9695 1.2465 1. EuOH+2 EuOH+2 EuOH+2 Eu(1)O(1)H(1)+(2) ref:G8A 2.Jun.98 -183200. -194000. -8.0 2.6569 -1.2969 6.2659 -2.7253 0.5828 -8.7585 1.1815 2. EuO+ EuO+ EuO+ Eu(1)O(1)+(1) ref:G8A 2.Jun.98 -171700. -177810. 7.7 2.7458 -1.0743 6.1663 -2.7345 -30.6415 -17.2120 0.4322 1. EuO2H,AQ EuO2H(AQ) EuO2H(AQ) Eu(1)O(2)H(1) ref:G8 21.Jan.98 -216000. -228200. 42.4 4.8064 3.9540 4.1968 -2.9424 -64.9060 -27.6415 -0.3000 0. EuO2- EuO2- EuO2- Eu(1)O(2)-(1) ref:G8A 2.Jun.98 -203600. -219060. 32.1 4.8468 4.0541 4.1548 -2.9465 -42.3249 -23.5471 1.1424 -1. EuHCO3+2 EuHCO3+2 EuHCO3+2 Eu(1)H(1)C(1)O(3)+(2) ref:G8A 2.Jun.98 -279800. -307500. -15.2 0.4928 -6.5720 8.3198 -2.5072 38.9648 4.2473 1.2860 2. EuCl+2 EuCl+2 EuCl+2 Eu(1)Cl(1)+(2) ref:G8 21.Jan.98 -169100. -181300. -26.9 -0.3777 -8.6968 9.1514 -2.4194 17.8123 -3.6844 1.4671 2. EuCl2+ EuCl2+ EuCl2+ Eu(1)Cl(2)+(1) ref:G8A 2.Jun.98 -200000. -220100. -11.1 2.7262 -1.122 6.1870 -2.7325 8.5409 -4.5117 0.7191 1. EuCl3,AQ EuCl3(AQ) EuCl3(AQ) Eu(1)Cl(3) ref:G8A 2.Jun.98 -230800. -261800. -5.3 6.2132 7.3881 2.8493 -3.0843 -22.7003 -12.9719 -0.0300 0. EuCl4- EuCl4- EuCl4- Eu(1)Cl(4)-(1) ref:G8 21.Jan.98 -261600. -306800. -10.5 10.9946 19.0660 -1.7473 -3.5671 -52.2612 -29.0648 1.7870 -1. EuF+ EuF+ EuF+ Eu(1)F(1)+(1) ref:G8A 2.Jun.98 -194600. -202200. 1.7 2.6504 -1.3110 6.2669 -2.7247 41.1681 7.4480 0.5256 1. EuF2,AQ EuF2(AQ) EuF2(AQ) Eu(1)F(1) ref:G8A 2.Jun.98 -261000. -282200. -4.1 3.5866 0.9784 5.3596 -2.8193 63.8849 17.1229 -0.0300 0. EuF3- EuF3- EuF3- Eu(1)F(3)-(1) ref:G8 21.Jan.98 -327700. -365700. -20.5 5.5026 5.6556 3.5244 -3.0127 111.0055 27.2121 1.9339 -1. EuF4-2 EuF4-2 EuF4-2 Eu(1)F(4)-(2) ref:G8 21.Jan.98 -394600. -455700. -58.1 7.6287 10.8431 1.4936 -3.2272 161.1451 37.7158 4.0961 -2. EuCl+ EuCl+ EuCl+ Eu(1)Cl(1)+(1) ref:G8 21.Jan.98 -161000. -164000. 19.5 5.1742 4.8499 3.8487 -2.9794 36.2777 6.6125 0.2557 1. EuCl2,AQ EuCl2(AQ) EuCl2(AQ) Eu(1)Cl(2) ref:G8 21.Jan.98 -193600. -204600. 35.00 9.1152 14.4740 0.0641 -3.3773 58.1447 15.1277 -0.0300 0. EuCl3- EuCl3- EuCl3- Eu(1)Cl(3)-(1) ref:G8 21.Jan.98 -226000. -246800. 44.7 13.9460 26.2721 -4.5790 -3.8650 91.9571 23.7331 0.9527 -1. EuCl4-2 EuCl4-2 EuCl4-2 Eu(1)Cl(4)-(2) ref:G8 21.Jan.98 -258500. -290600. 48.6 19.4730 39.7656 -9.8784 -4.4228 131.0045 32.4289 2.4755 -2. EuH2PO4+2 EuH2PO4+2 EuH2PO4+2 Eu(1)H(2)P(1)O(4)+(2) ref:G8A 2.Jun.98 -410500. -457600. -31.7 1.4946 -4.1236 7.3517 -2.6084 42.8673 4.7993 1.5372 2. EuNO3+2 EuNO3+2 EuNO3+2 Eu(1)N(1)O(3)+(2) ref:G8 21.Jan.98 -165000. -201800. -39.7 1.2198 -4.7951 7.6178 -2.5807 33.7330 1.2455 1.6556 2. EuF+2 EuF+2 EuF+2 Eu(1)F(1)+(2) ref:G8 21.Jan.98 -210700. -219200. -17.0 -3.0453 -15.2112 11.7137 -2.1501 18.7828 -2.8489 1.3115 2. EuF2+ EuF2+ EuF2+ Eu(1)F(2)+(1) ref:G8 21.Jan.98 -282500. -301700. -12.7 -2.7958 -14.6044 11.4813 -2.1752 14.4597 -2.5166 0.7384 1. EuF3,AQ EuF3(AQ) EuF3(AQ) Eu(1)F(3) ref:G8 21.Jan.98 -353200. -387300. -23.1 -2.5616 -14.0324 11.2555 -2.1988 -12.6911 -9.4929 -0.0300 0. EuF4- EuF4- EuF4- Eu(1)F(4)-(1) ref:G8 21.Jan.98 -423200. -477800. -51.8 -1.1887 -10.6780 9.9326 -2.3375 -31.3648 -23.7779 2.4042 -1. EuSO4+ EuSO4+ EuSO4+ Eu(1)S(1)O(4)+(1) ref:G8A 21.Jan.98 -320200. -347200. -15.3 -1.4399 -4.2627 7.4184 -2.6027 -20.8829 -14.9306 0.7790 1. GdCO3+ GdCO3+ GdCO3+ Gd(1)C(1)O(3)+(1) ref:G8A 2.Jun.98 -295500. -330220. -40.8 -0.9530 -10.1036 9.7095 -2.3612 -19.8322 -15.8269 1.1729 1. GdOH+2 GdOH+2 GdOH+2 Gd(1)O(1)H(1)+(2) ref:G8A 2.Jun.98 -204500. -212900. -2.9 2.7389 -1.0936 6.1786 -2.7337 -3.5082 -9.9196 1.1000 2. GdO+ GdO+ GdO+ Gd(1)O(1)+(1) ref:G8A 2.Jun.98 -193000. -196630. 13.1 2.8425 -0.8409 6.0801 -2.7441 -34.9963 -18.4750 0.3539 1. GdO2H,AQ GdO2H(AQ) GdO2H(AQ) Gd(1)O(2)H(1) ref:G8 21.Jan.98 -237500. -247200. 48.2 5.0117 4.4582 3.9917 -2.9632 -72.5835 -30.3099 -0.0300 0. GdO2- GdO2- GdO2- Gd(1)O(2)-(1) ref:G8A 2.Jun.98 -225000. -237730. 38.3 5.0344 4.5111 3.9769 -2.9654 -50.6235 -26.1341 1.0495 -1. GdHCO3+2 GdHCO3+2 GdHCO3+2 Gd(1)H(1)C(1)O(3)+(2) ref:G8 21.Jan.98 -301200. -326700. -9.7 0.6026 -6.3043 8.2153 -2.5183 39.1396 4.5681 1.2048 2. GdCl+2 GdCl+2 GdCl+2 Gd(1)Cl(1)+(2) ref:G8 21.Jan.98 -190400. -200600. -22.3 -0.2630 -8.4170 9.0425 -2.4309 18.1232 -3.3636 1.4006 2. GdCl2+ GdCl2+ GdCl2+ Gd(1)Cl(2)+(1) ref:G8 21.Jan.98 -221300. -239000. -5.4 2.8492 -0.8272 6.0803 -2.7447 9.5260 -3.8858 0.6305 1. GdCl3,AQ GdCl3(AQ) GdCl3(AQ) Gd(1)Cl(3) ref:G8A 2.Jun.98 -252100. -280170. 2.2 6.3836 7.8028 2.6888 -3.1015 -19.6565 -11.9138 -0.0300 0. GdCl4- GdCl4- GdCl4- Gd(1)Cl(4)-(1) ref:G8 21.Jan.98 -282900. -324300. -0.2 11.1317 19.3995 -1.8761 -3.5809 -49.0467 -27.4478 1.6310 -1. GdH2PO4+2 GdH2PO4+2 GdH2PO4+2 Gd(1)H(2)P(1)O(4)+(2) ref:G8A 2.Jun.98 -431800. -476600. -26.1 1.6048 -3.8632 7.2686 -2.6192 43.0549 5.1201 1.4574 2. GdNO3+2 GdNO3+2 GdNO3+2 Gd(1)N(1)O(3)+(2) ref:G8 21.Jan.98 -185700. -219800. -32.5 1.3205 -4.5535 7.5323 -2.5907 33.6609 1.5663 1.5475 2. GdF+2 GdF+2 GdF+2 Gd(1)F(1)+(2) ref:G8 21.Jan.98 -232200. -239300. -14.4 -2.9196 -14.9041 11.5935 -2.1628 19.3937 -2.5281 1.2776 2. GdF2+ GdF2+ GdF2+ Gd(1)F(2)+(1) ref:G8 21.Jan.98 -304100. -321800. -10.2 -2.6526 -14.2557 11.3457 -2.1896 15.9952 -1.8906 0.7096 1. GdF3,AQ GdF3(AQ) GdF3(AQ) Gd(1)F(3) ref:G8 21.Jan.98 -374900. -407400. -19.9 -2.3913 -13.6174 11.0949 -2.2160 -9.6471 -8.4349 -0.0300 0. GdF4- GdF4- GdF4- Gd(1)F(4)-(1) ref:G8 21.Jan.98 -445000. -497300. -46.4 -1.0260 -10.2805 9.7756 -2.3539 -27.4519 -22.1609 2.3239 -1. GdSO4+ GdSO4+ GdSO4+ Gd(1)S(1)O(4)+(1) ref:G8A 2.Jun.98 -331500. -376800. -12.0 -1.4776 -4.1705 7.3822 -2.6065 -20.9360 -14.7880 0.7287 1. TbCO3+ TbCO3+ TbCO3+ Tb(1)C(1)O(3)+(1) ref:G8A 2.Jun.98 -296500. -333330. -46.7 1.5196 -4.0643 7.3324 -2.6109 -20.3354 -14.8084 0.8002 1. TbOH+2 TbOH+2 TbOH+2 Tb(1)O(1)H(1)+(2) ref:G8A 2.Jun.98 -205500. -216150. -9.3 2.6348 -1.3451 6.2720 -2.7233 1.6043 -8.4529 1.1969 2. TbO+ TbO+ TbO+ Tb(1)O(1)+(1) ref:G8 21.Jan.98 -194100. -209000. 6.3 2.7263 -1.1230 6.1877 -2.7325 -29.4895 -16.8861 0.4555 1. TbO2H,AQ TbO2H(AQ) TbO2H(AQ) Tb(1)O(2)H(1) ref:G8 21.Jan.98 -238700. -251000. 40.9 4.7517 3.8228 4.2425 -2.9369 -62.8548 -26.9285 -0.0300 0. TbO2- TbO2- TbO2- Tb(1)O(2)-(1) ref:G8A 2.Jun.98 -226200. -241600. 30.5 4.8006 3.9380 4.2071 -2.9417 -40.1590 -22.8749 1.1676 -1. TbHCO3+2 TbHCO3+2 TbHCO3+2 Tb(1)H(1)C(1)O(3)+(2) ref:G8 21.Jan.98 -302100. -335300. -34.3 0.7596 -5.9232 8.0699 -2.5340 42.4558 4.5223 1.5790 2. TbCl+2 TbCl+2 TbCl+2 Tb(1)Cl(1)+(2) ref:G8 21.Jan.98 -191200. -203500. -28.1 -0.2034 -8.2736 8.9909 -2.4369 18.7845 -3.4094 1.4867 2. TbCl2+ TbCl2+ TbCl2+ Tb(1)Cl(2)+(1) ref:G8 21.Jan.98 -222200. -242400. -12.6 2.9196 -0.6498 5.9993 -2.7520 10.2630 -3.9752 0.7384 1. TbCl3,AQ TbCl3(AQ) TbCl3(AQ) Tb(1)Cl(3) ref:G8 21.Jan.98 -253000. -284300. -7.2 6.4214 7.8972 2.6479 -3.1054 -20.0913 -12.0650 -0.0300 0. TbCl4- TbCl4- TbCl4- Tb(1)Cl(4)-(1) ref:G8 21.Jan.98 -283800. -329400. -13.2 11.2397 19.6657 -1.9861 -3.5919 -47.9171 -27.6788 1.8257 -1. TbH2PO4+2 TbH2PO4+2 TbH2PO4+2 Tb(1)H(2)P(1)O(4)+(2) ref:G8A 2.Jun.98 -432600. -479900. -33.1 1.6693 -3.7077 7.2115 -2.6256 43.8497 5.0743 1.5579 2. TbNO3+2 TbNO3+2 TbNO3+2 Tb(1)N(1)O(3)+(2) ref:G8 21.Jan.98 -186700. -223800. -41.6 1.3991 -4.3601 7.4524 -2.5987 34.8389 1.5205 1.6897 2. TbF+2 TbF+2 TbF+2 Tb(1)F(1)+(2) ref:G8 21.Jan.98 -233200. -241600. -17.6 -2.8718 -14.7859 11.5438 -2.1677 19.7334 -2.5739 1.3288 2. TbF2+ TbF2+ TbF2+ Tb(1)F(2)+(1) ref:G8 21.Jan.98 -305300. -324300. -13.3 -2.6056 -14.1355 11.2872 -2.1945 16.0944 -1.9800 0.7483 1. TbF3,AQ TbF3(AQ) TbF3(AQ) Tb(1)F(3) ref:G8 21.Jan.98 -376100. -410200. -24.0 -2.3534 -13.5233 11.0536 -2.2198 -10.0820 -8.5860 -0.0300 0. TbF4- TbF4- TbF4- Tb(1)F(4)-(1) ref:G8 21.Jan.98 -446300. -500900. -53.2 -0.9496 -10.0938 9.7025 -2.3616 -27.1819 -22.3919 2.4254 -1. TbSO4+ TbSO4+ TbSO4+ Tb(1)S(1)O(4)+(1) ref:G8 21.Jan.98 -342400. -379600. -17.1 1.5192 -4.0691 7.3424 -2.6107 -20.2352 -14.8084 0.8111 1. DyCO3+ DyCO3+ DyCO3+ Dy(1)C(1)O(3)+(1) ref:G8A 2.Jun.98 -295800. -333160. -48.1 -0.9340 -10.0536 9.6821 -2.3633 -16.3311 -14.9713 1.2858 1. DyHCO3+2 DyHCO3+2 DyHCO3+2 Dy(1)H(1)C(1)O(3)+(2) ref:G8A 2.Jun.98 -301300. -329700. -18.2 0.6017 -6.3082 8.2207 -2.5181 45.9011 6.4931 1.3375 2. DyCl+2 DyCl+2 DyCl+2 Dy(1)Cl(1)+(2) ref:G8 21.Jan.98 -190400. -203200. -29.5 -0.2729 -8.4410 9.0516 -2.4299 24.6385 -1.4386 1.5067 2. DyCl2+ DyCl2+ DyCl2+ Dy(1)Cl(2)+(1) ref:G8 21.Jan.98 -221400. -242200. -14.4 2.8449 -0.8347 6.0770 -2.7444 21.6041 -0.1300 0.7686 1. DyCl3,AQ DyCl3(AQ) DyCl3(AQ) Dy(1)Cl(3) ref:G8 21.Jan.98 -252200. -284200. -9.6 6.3268 7.6646 2.7424 -3.0958 -1.3925 -5.5657 -0.0300 0. DyCl4- DyCl4- DyCl4- Dy(1)Cl(4)-(1) ref:G8 21.Jan.98 -283000. -329600. -16.4 11.1518 19.4467 -1.8909 -3.5828 -18.8614 -17.7460 1.8776 -1. DyH2PO4+2 DyH2PO4+2 DyH2PO4+2 Dy(1)H(2)P(1)O(4)+(2) ref:G8A 2.Jun.98 -431800. -479700. -34.8 1.6038 -3.8668 7.2721 -2.6190 49.8123 7.0451 1.5897 2. DyNO3+2 DyNO3+2 DyNO3+2 Dy(1)N(1)O(3)+(2) ref:G8 21.Jan.98 -185400. -223200. -43.8 1.3347 -4.5159 7.5104 -2.5922 40.8317 3.4913 1.7247 2. DyF+2 DyF+2 DyF+2 Dy(1)F(1)+(2) ref:G8 21.Jan.98 -232400. -241100. -18.4 -2.9451 -14.9683 11.6229 -2.1601 25.4842 -0.6031 1.3375 2. DyF2+ DyF2+ DyF2+ Dy(1)F(2)+(1) ref:G8 21.Jan.98 -304500. -323800. -14.1 -2.6837 -14.3302 11.3726 -2.1865 27.3446 1.8651 0.7686 1. DyF3,AQ DyF3(AQ) DyF3(AQ) Dy(1)F(3) ref:G8 21.Jan.98 -375400. -409800. -25.0 -2.4481 -13.7557 11.1483 -2.2102 8.6168 -2.0868 -0.0300 0. DyF4- DyF4- DyF4- Dy(1)F(4)-(1) ref:G8 21.Jan.98 -445600. -500800. -54.9 -1.0402 -10.3182 9.7972 -2.3523 1.7998 -12.4591 2.4692 -1. DyOH+2 DyOH+2 DyOH+2 Dy(1)O(1)H(1)+(2) ref:G8A 2.Jun.98 -204700. -215940. -10.9 2.6154 -1.3941 6.2950 -2.7213 2.8769 -8.0863 1.2206 2. DyO+ DyO+ DyO+ Dy(1)O(1)+(1) ref:G8A 2.Jun.98 -193400. -200020. 4.6 2.6935 -1.2056 6.2255 -2.7291 -28.1511 -16.4991 0.4799 1. DyO2H,AQ DyO2H(AQ) DyO2H(AQ) Dy(1)O(2)H(1) ref:G8 21.Jan.98 -238200. -251100. 39.1 4.6969 3.6855 4.3051 -2.9313 -60.3933 -26.0730 -0.0300 0. DyO2- DyO2- DyO2- Dy(1)O(2)-(1) ref:G8A 2.Jun.98 -226400. -242480. 28.6 4.7414 3.7936 4.2636 -2.9357 -37.5629 -22.0601 1.1949 -1. DySO4+ DySO4+ DySO4+ Dy(1)S(1)O(4)+(1) ref:G8 21.Jan.98 -341600. -379000. -17.9 -1.4956 -4.1268 7.3650 -2.6083 -17.6132 -13.9325 0.8222 1. HoCO3+ HoCO3+ HoCO3+ Ho(1)C(1)O(3)+(1) ref:G8A 2.Jun.98 -298600. -335640. -47.0 -0.9954 -10.2047 9.7433 -2.3570 -17.4516 -15.2972 1.2659 1. HoHCO3+2 HoHCO3+2 HoHCO3+2 Ho(1)H(1)C(1)O(3)+(2) ref:G8 21.Jan.98 -304000. -332100. -17.0 0.4557 -6.6620 8.3538 -2.5035 43.5512 5.7598 1.3115 2. HoCl+2 HoCl+2 HoCl+2 Ho(1)Cl(1)+(2) ref:G8 21.Jan.98 -193100. -205600. -28.4 -0.4168 -8.7940 9.1934 -2.4154 22.3450 -2.1720 1.4867 2. HoCl2+ HoCl2+ HoCl2+ Ho(1)Cl(2)+(1) ref:G8 21.Jan.98 -224100. -244600. -13.1 2.6851 -1.2272 6.2371 -2.7282 17.3007 -1.5607 0.7483 1. HoCl3,AQ HoCl3(AQ) HoCl3(AQ) Ho(1)Cl(3) ref:G8 21.Jan.98 -254900. -286400. -7.8 6.1565 7.2496 2.9030 -3.0786 -8.3500 -7.9841 -0.0300 0. HoCl4- HoCl4- HoCl4- Ho(1)Cl(4)-(1) ref:G8 21.Jan.98 -285700. -331700. -14.0 10.9513 18.9611 -1.7081 -3.5628 -29.7863 -21.4419 1.8460 -1. HoH2PO4+2 HoH2PO4+2 HoH2PO4+2 Ho(1)H(2)P(1)O(4)+(2) ref:G8A 2.Jun.98 -434600. -482100. -33.5 1.4594 -4.2123 7.3930 -2.6048 47.5067 6.3118 1.5684 2. HoNO3+2 HoNO3+2 HoNO3+2 Ho(1)N(1)O(3)+(2) ref:G8 21.Jan.98 -188200. -225600. -42.1 1.1895 -4.8717 7.6537 -2.5775 38.5060 2.7579 1.7013 2. HoF+2 HoF+2 HoF+2 Ho(1)F(1)+(2) ref:G8 21.Jan.98 -235200. -243800. -17.8 -3.0852 -15.3064 11.7462 -2.1461 23.2937 -1.3364 1.3288 2. HoF2+ HoF2+ HoF2+ Ho(1)F(2)+(1) ref:G8 21.Jan.98 -307400. -326500. -13.5 -2.8400 -14.7070 11.5098 -2.1709 23.1340 0.4343 0.7584 1. HoF3,AQ HoF3(AQ) HoF3(AQ) Ho(1)F(3) ref:G8 21.Jan.98 -378300. -412500. -24.2 -2.6184 -14.1706 11.3090 -2.1931 1.6591 -4.5051 -0.0300 0. HoF4- HoF4- HoF4- Ho(1)F(4)-(1) ref:G8 21.Jan.98 -448500. -503400. -53.7 -1.2375 -10.7997 9.9860 -2.3324 -9.0382 -16.1550 2.4471 -1. HoOH+2 HoOH+2 HoOH+2 Ho(1)O(1)H(1)+(2) ref:G8A 2.Jun.98 -207500. -218400. -9.7 2.6374 -1.3394 6.2715 -2.7235 1.9108 -8.3714 1.2048 2. HoO+ HoO+ HoO+ Ho(1)O(1)+(1) ref:G8A 2.Jun.98 -196200. -202440. 5.9 2.7146 -1.1548 6.2077 -2.7312 -29.1412 -16.7843 0.4615 1. HoO2H,AQ HoO2H(AQ) HoO2H(AQ) Ho(1)O(2)H(1) ref:G8 21.Jan.98 -241300. -253800. 40.5 4.7380 3.7900 4.2544 -2.9356 -62.2688 -26.7248 -0.0300 0. HoO2- HoO2- HoO2- Ho(1)O(2)-(1) ref:G8A 2.Jun.98 -229100. -244780. 30.0 4.7894 3.9112 4.2160 -2.9406 -39.5064 -22.6712 1.1748 -1. HoSO4+ HoSO4+ HoSO4+ Ho(1)S(1)O(4)+(1) ref:G8 21.Jan.98 -344200. -381500. -17.0 -1.4371 -4.2696 7.4212 -2.6024 -18.6528 -14.2584 0.8111 1. ErCO3+ ErCO3+ ErCO3+ Er(1)C(1)O(3)+(1) ref:G8A 2.Jun.98 -297200. -335570. -51.9 -1.0539 -10.3510 9.8086 -2.3510 -17.2819 -15.5009 1.3480 1. ErHCO3+2 ErHCO3+2 ErHCO3+2 Er(1)H(1)C(1)O(3)+(2) ref:G8 21.Jan.98 -302600. -332200. -22.6 0.2724 -7.1116 8.5345 -2.4849 43.0537 5.3015 1.4006 2. ErCl+2 ErCl+2 ErCl+2 Er(1)Cl(1)+(2) ref:G8 21.Jan.98 -191700. -205400. -33.2 -0.6062 -9.2588 9.3810 -2.3961 21.6825 -2.6303 1.5579 2. ErCl2+ ErCl2+ ErCl2+ Er(1)Cl(2)+(1) ref:G8 21.Jan.98 -222600. -244700. -19.0 2.4799 -1.7255 6.4270 -2.7076 15.6173 -2.4550 0.8449 1. ErCl3,AQ ErCl3(AQ) ErCl3(AQ) Er(1)Cl(3) ref:G8 21.Jan.98 -253400. -287100. -15.6 5.8915 6.6023 3.1580 -3.0518 -12.6987 -9.4955 -0.0300 0. ErCl4- ErCl4- ErCl4- Er(1)Cl(4)-(1) ref:G8 21.Jan.98 -284200. -333200. -24.7 10.7108 18.3744 -1.4789 -3.5385 -34.9400 -23.7519 2.0080 -1. ErH2PO4+2 ErH2PO4+2 ErH2PO4+2 Er(1)H(2)P(1)O(4)+(2) ref:G8A 2.Jun.98 -433100. -482200. -39.3 1.2754 -4.6600 7.5655 -2.5863 46.9907 5.8534 1.6556 2. ErNO3+2 ErNO3+2 ErNO3+2 Er(1)N(1)O(3)+(2) ref:G8 21.Jan.98 -186600. -226000. -49.7 1.0128 -5.3011 7.8182 -2.5598 38.1891 2.2996 1.8100 2. ErF+2 ErF+2 ErF+2 Er(1)F(1)+(2) ref:G8 21.Jan.98 -233700. -242900. -20.4 -3.2867 -15.8018 11.9486 -2.1257 22.3012 -1.7948 1.3642 2. ErF2+ ErF2+ ErF2+ Er(1)F(2)+(1) ref:G8 21.Jan.98 -305900. -325700. -16.1 -3.0637 -15.2566 11.7333 -2.1482 20.9464 -0.4598 0.8002 1. ErF3,AQ ErF3(AQ) ErF3(AQ) Er(1)F(3) ref:G8 21.Jan.98 -376800. -411900. -27.7 -2.8834 -14.8179 11.5640 -2.1663 -2.6893 -6.0166 -0.0300 0. ErF4- ErF4- ErF4- Er(1)F(4)-(1) ref:G8 21.Jan.98 -447100. -503500. -59.3 -1.5016 -11.4431 10.2350 -2.3058 -14.8367 -18.4650 2.5390 -1. ErOH+2 ErOH+2 ErOH+2 Er(1)O(1)H(1)+(2) ref:G8A 2.Jun.98 -206000. -218220. -14.6 2.5526 -1.5478 6.3556 -2.7149 5.8637 -7.2307 1.2776 2. ErO+ ErO+ ErO+ Er(1)O(1)+(1) ref:G8A 2.Jun.98 -194800. -202490. 0.6 2.6315 -1.3551 6.2803 -2.7229 -24.9068 -15.5621 0.5394 1. ErO2H,AQ ErO2H(AQ) ErO2H(AQ) Er(1)O(2)H(1) ref:G8 21.Jan.98 -240100. -254300. 34.8 4.5464 3.3186 4.4476 -2.9161 -54.7085 -24.0971 -0.0300 0. ErO2- ErO2- ErO2- Er(1)O(2)-(1) ref:G8A 2.Jun.98 -228800. -246130. 24.0 4.6152 3.4877 4.3792 -2.9231 -31.3910 -20.1453 1.2669 -1. ErSO4+ ErSO4+ ErSO4+ Er(1)S(1)O(4)+(1) ref:G8 21.Jan.98 -342700. -381048. -21.1 1.3743 -4.4228 7.4814 -2.5961 -18.7119 -14.4621 0.8683 1. TmCO3+ TmCO3+ TmCO3+ Tm(1)C(1)O(3)+(1) ref:G8 21.Jan.98 -297300. -312700. -51.6 -1.0611 -10.3695 9.8181 -2.3502 -17.4772 -15.5009 1.3268 1. TmHCO3+2 TmHCO3+2 TmHCO3+2 Tm(1)H(1)C(1)O(3)+(2) ref:G8 21.Jan.98 -302600. -332200. -22.4 0.2724 -7.1116 8.5345 -2.4849 43.0537 5.3015 1.4006 2. TmCl+2 TmCl+2 TmCl+2 Tm(1)Cl(1)+(2) ref:G8 21.Jan.98 -191600. -205300. -33.0 -0.6062 -9.2588 9.3810 -2.3961 21.6825 -2.6303 1.5579 2. TmCl2+ TmCl2+ TmCl2+ Tm(1)Cl(2)+(1) ref:G8 21.Jan.98 -222600. -244600. -18.7 2.4761 -1.7342 6.4282 -2.7072 15.5119 -2.4550 0.8334 1. TmCl3,AQ TmCl3(AQ) TmCl3(AQ) Tm(1)Cl(3) ref:G8 21.Jan.98 -253400. -287000. -15.3 5.8915 6.6023 3.1580 -3.0518 -12.6987 -9.4955 -0.0300 0. TmCl4- TmCl4- TmCl4- Tm(1)Cl(4)-(1) ref:G8 21.Jan.98 -284200. -333100. -24.2 10.7064 18.3610 -1.4676 -3.5379 -35.0588 -23.7519 1.9951 -1. TmH2PO4+2 TmH2PO4+2 TmH2PO4+2 Tm(1)H(2)P(1)O(4)+(2) ref:G8A 2.Jun.98 -433100. -482200. -39.1 1.2716 -4.6688 7.5680 -2.5859 46.8875 5.8534 1.6444 2. TmNO3+2 TmNO3+2 TmNO3+2 Tm(1)N(1)O(3)+(2) ref:G8 21.Jan.98 -186700. -226000. -49.3 1.0128 -5.3011 7.8182 -2.5598 38.1891 2.2996 1.8100 2. TmF+2 TmF+2 TmF+2 Tm(1)F(1)+(2) ref:G8 21.Jan.98 -233800. -243000. -20.3 -3.2867 -15.8018 11.9486 -2.1257 22.3012 -1.7948 1.3642 2. TmF2+ TmF2+ TmF2+ Tm(1)F(2)+(1) ref:G8 21.Jan.98 -306000. -325800. -16.0 -3.0673 -15.2659 11.7377 -2.1478 20.8477 -0.4598 0.7895 1. TmF3,AQ TmF3(AQ) TmF3(AQ) Tm(1)F(3) ref:G8 21.Jan.98 -376900. -412000. -27.5 -2.8834 -14.8179 11.5640 -2.1663 -2.6893 -6.0166 -0.0300 0. TmF4- TmF4- TmF4- Tm(1)F(4)-(1) ref:G8 21.Jan.98 -447200. -503600. -59.0 -1.5097 -11.4594 10.2349 -2.3052 -15.0561 -18.4650 2.5152 -1. TmOH+2 TmOH+2 TmOH+2 Tm(1)O(1)H(1)+(2) ref:G8A 2.Jun.98 -206100. -218410. -14.7 2.5389 -1.5805 6.3673 -2.7136 5.9225 -7.2104 1.2776 2. TmO+ TmO+ TmO+ Tm(1)O(1)+(1) ref:G8A 2.Jun.98 -194900. -202680. 0.5 2.6339 -1.3489 6.2767 -2.7231 -24.7834 -15.5417 0.5464 1. TmO2H,AQ TmO2H(AQ) TmO2H(AQ) Tm(1)O(2)H(1) ref:G8 21.Jan.98 -240300. -254500. 34.7 4.5464 3.3186 4.4476 -2.9161 -55.5327 -24.0360 -0.0300 0. TmO2- TmO2- TmO2- Tm(1)O(2)-(1) ref:G8A 2.Jun.98 -228700. -246120. 23.9 4.6152 3.4877 4.3792 -2.9231 -31.2152 -20.0842 1.2669 -1. TmSO4+ TmSO4+ TmSO4+ Tm(1)S(1)O(4)+(1) ref:G8 21.Jan.98 -342700. -381120. -21.2 -1.3743 -4.4228 7.4814 -2.5961 -18.7119 -14.4621 0.8683 1. YbCO3+ YbCO3+ YbCO3+ Yb(1)C(1)O(3)+(1) ref:G8A 2.Jun.98 -290500. -327410. -50.2 -1.0611 -10.3695 9.8181 -2.3502 -17.4772 -15.5009 1.3268 1. YbOH+2 YbOH+2 YbOH+2 Yb(1)O(1)H(1)+(2) ref:G8A 2.Jun.98 -199300. -210120. -13.1 2.5716 -1.5040 6.3438 -2.7167 4.6390 -7.5770 1.2528 2. YbO+ YbO+ YbO+ Yb(1)O(1)+(1) ref:G8A 2.Jun.98 -188200. -195780. 2.2 2.6656 -1.2698 6.2422 -2.7264 -26.1516 -15.9287 0.5188 1. YbO2H,AQ YbO2H(AQ) YbO2H(AQ) Yb(1)O(2)H(1) ref:G8 21.Jan.98 -233800. -246500. 36.5 4.6011 3.4560 4.3859 -2.9218 -58.9357 -24.8711 -0.0300 0. YbO2- YbO2- YbO2- Yb(1)O(2)-(1) ref:G8A 2.Jun.98 -221800. -237646.19 25.8 4.6743 3.6324 4.3212 -2.9291 -33.8142 -20.8990 1.2392 -1. YbHCO3+2 YbHCO3+2 YbHCO3+2 Yb(1)H(1)C(1)O(3)+(2) ref:G8 21.Jan.98 -295792. -323900. -20.7 0.0344 -7.6923 8.7622 -2.4609 40.0319 4.3390 1.3732 2. YbCl+2 YbCl+2 YbCl+2 Yb(1)Cl(1)+(2) ref:G8 21.Jan.98 -184600. -196900. -31.5 -0.8419 -9.8331 9.6042 -2.3724 18.7222 -3.5928 1.5372 2. YbCl2+ YbCl2+ YbCl2+ Yb(1)Cl(2)+(1) ref:G8 21.Jan.98 -215400. -236000. -16.9 2.2137 -2.3759 6.6832 -2.6807 9.9034 -4.3329 0.8111 1. YbCl3,AQ YbCl3(AQ) YbCl3(AQ) Yb(1)Cl(3) ref:G8 21.Jan.98 -246100. -278100. -12.9 5.6076 5.9109 3.4260 -3.0233 -12.8306 -12.6696 -0.0300 0. YbCl4- YbCl4- YbCl4- Yb(1)Cl(4)-(1) ref:G8 21.Jan.98 -276900. -323800. -21.0 10.3734 17.5486 -1.1496 -3.5044 -49.4701 -28.6028 1.9457 -1. YbH2PO4+2 YbH2PO4+2 YbH2PO4+2 Yb(1)H(2)P(1)O(4)+(2) ref:G8A 2.Jun.98 -426300. -473900. -37.31 1.0354 -5.2480 7.8010 -2.5619 43.9143 4.8910 1.6222 2. YbNO3+2 YbNO3+2 YbNO3+2 Yb(1)N(1)O(3)+(2) ref:G8 21.Jan.98 -179800. -217600. -47.0 0.7716 -5.8922 8.0541 -2.5353 35.0774 1.3371 1.7728 2. YbF+2 YbF+2 YbF+2 Yb(1)F(1)+(2) ref:G8 21.Jan.98 -226900. -234900. -19.5 -3.5184 -16.3679 12.1716 -2.1023 19.4495 -2.7572 1.3552 2. YbF2+ YbF2+ YbF2+ Yb(1)F(2)+(1) ref:G8 21.Jan.98 -299100. -317700. -15.2 -3.3257 -15.8931 11.9766 -2.1219 15.3476 -2.3377 0.7790 1. YbF3,AQ YbF3(AQ) YbF3(AQ) Yb(1)F(3) ref:G8 21.Jan.98 -370100. -403900. -26.5 -3.1673 -15.5093 11.8317 -2.1377 -11.8214 -9.1906 -0.0300 0. YbF4- YbF4- YbF4- Yb(1)F(4)-(1) ref:G8 21.Jan.98 -440400. -495300. -57.3 -1.8339 -12.2511 10.5461 -2.2724 -29.2268 -23.3159 2.4920 -1. YbSO4+ YbSO4+ YbSO4+ Yb(1)S(1)O(4)+(1) ref:G8A 2.Jun.98 -335800. -372900. -20.1 -1.2745 -4.6665 7.5772 -2.5860 -20.0516 -14.8899 0.8565 1. LuCO3+ LuCO3+ LuCO3+ Lu(1)C(1)O(3)+(1) ref:G8A 2.Jun.98 -296900. -335420. -57.7 -1.1546 -10.5926 9.8949 -2.3410 -15.3205 -15.0324 1.4146 1. LuOH+2 LuOH+2 LuOH+2 Lu(1)O(1)H(1)+(2) ref:G8A 2.Jun.98 -205700. -218340. -21.3 2.4374 -1.8325 6.4754 -2.7031 11.3407 -5.6622 1.3823 2. LuO+ LuO+ LuO+ Lu(1)O(1)+(1) ref:G8A 2.Jun.98 -195200. -203450. -6.6 2.5066 -1.6582 6.3957 -2.7104 -19.0294 -13.8917 0.6557 1. LuO2H,AQ LuO2H(AQ) LuO2H(AQ) Lu(1)O(2)H(1) ref:G8 21.Jan.98 -240200. -255100. 27.1 4.2864 2.6831 4.6987 -2.8898 -44.3938 -20.5120 -0.0300 0. LuO2- LuO2- LuO2- Lu(1)O(2)-(1) ref:G8A 2.Jun.98 -229200. -247400. 15.8 4.3695 2.8897 4.6099 -2.8984 -20.2927 -16.6824 1.3901 -1. LuHCO3+2 LuHCO3+2 LuHCO3+2 Lu(1)H(1)C(1)O(3)+(2) ref:G8 21.Jan.98 -302300. -332400. -29.5 0.0033 -7.7669 8.7884 -2.4578 47.0638 6.3556 1.5067 2. LuCl+2 LuCl+2 LuCl+2 Lu(1)Cl(1)+(2) ref:G8 21.Jan.98 -190700. -204600. -38.9 -0.8820 -9.9277 9.6353 -2.3685 25.5113 -1.5761 1.6444 2. LuCl2+ LuCl2+ LuCl2+ Lu(1)Cl(2)+(1) ref:G8 21.Jan.98 -221300. -244000. -26.2 2.1736 -2.4767 6.7285 -2.6765 22.4451 -0.3982 0.9437 1. LuCl3,AQ LuCl3(AQ) LuCl3(AQ) Lu(1)Cl(3) ref:G8 21.Jan.98 -251900. -286846. -25.1 5.5129 5.6785 3.5203 -3.0136 -2.6969 -6.0192 -0.0300 0. LuCl4- LuCl4- LuCl4- Lu(1)Cl(4)-(1) ref:G8 21.Jan.98 -282500. -333800. -37.7 10.3535 17.5009 -1.1323 -3.5024 -17.8947 -18.4390 2.1990 -1. LuH2PO4+2 LuH2PO4+2 LuH2PO4+2 Lu(1)H(1)P(1)O(4)+(2) ref:G8A 2.Jun.98 -432800. -482400. -46.3 1.0060 -5.3207 7.8310 -2.5589 50.9918 6.9076 1.7607 2. LuNO3+2 LuNO3+2 LuNO3+2 Lu(1)N(1)O(3)+(2) ref:G8 21.Jan.98 -186700. -227300. -58.7 0.7523 -5.9353 8.0622 -2.5335 42.4310 3.3538 1.9413 2. LuF+2 LuF+2 LuF+2 Lu(1)F(1)+(2) ref:G8 21.Jan.98 -233300. -241900. -23.6 -3.5730 -16.4994 12.2192 -2.0968 25.8414 -0.7406 1.4192 2. LuF2+ LuF2+ LuF2+ Lu(1)F(2)+(1) ref:G8 21.Jan.98 -305600. -324800. -19.2 -3.3883 -16.0473 12.0392 -2.1155 27.2751 1.5969 0.8449 1. LuF3,AQ LuF3(AQ) LuF3(AQ) Lu(1)F(3) ref:G8 21.Jan.98 -376563. -411300. -31.8 -3.2619 -15.7420 11.9264 -2.1281 7.3122 -2.5402 -0.0300 0. LuF4- LuF4- LuF4- Lu(1)F(4)-(1) ref:G8 21.Jan.98 -446900. -503800. -66.1 -1.8892 -12.3870 10.6014 -2.2668 1.3820 -13.1521 2.6403 -1. LuSO4+ LuSO4+ LuSO4+ Lu(1)S(1)O(4)+(1) ref:G8 21.Jan.98 -342200. -380630. -26.6 -1.2811 -4.6503 7.5708 -2.5867 -16.5465 -13.9936 0.9570 1. Li(Lac),AQ LiCH3CH2OCO2 Li(Lac),AQ Li(1)C(3)H(5)O(3) ref:G7A 30.Aug.93 -192736. -232028. 30.798 10.5433 17.9646 -1.3160 -3.5216 78.9753 22.3678 -0.0300 0. Mg(Lac)+ MgCH3CH2OCO2+ Mg(Lac)+ Mg(1)C(3)H(5)O(3)+(1) ref:G7 30.Aug.93 -232904. -274593. 8.000 7.5465 10.6466 1.5614 -3.2190 84.0159 22.6398 0.4322 1. Mg(Lac)2,AQ Mg(CH3CH2OCO2)2 Mg(Lac)2,AQ Mg(1)C(6)H(10)O(6) ref:G7 30.Aug.93 -356826. -440700. 37.734 16.9548 33.6148 -7.4563 -4.1685 174.7884 55.6701 -0.0300 0. Ca(Lac)+ CaCH3CH2OCO2+ Ca(Lac)+ Ca(1)C(3)H(5)O(3)+(1) ref:G7 16.Aug.93 -256587. -294436. 23.00 8.0009 11.7524 1.1355 -3.2647 79.0115 21.6361 0.2025 1. Ca(Lac)2,AQ Ca(CH3CH2OCO2)2 Ca(Lac)2,AQ Ca(1)C(6)H(10)O(6) ref:G7 16.Aug.93 -380563. -459217. 57.364 17.5477 35.0629 -8.0266 -4.2284 169.1540 53.7117 -0.0300 0. Sr(Lac)+ SrCH3CH2OCO2+ Sr(Lac)+ Sr(1)C(3)H(5)O(3)+(1) ref:G7 30.Aug.93 -258627. -295697. 29.000 8.0696 11.9219 1.0649 -3.2718 74.8585 20.4811 0.1124 1. Sr(Lac)2,AQ Sr(CH3CH2OCO2)2 Sr(Lac)2,AQ Sr(1)C(6)H(10)O(6) ref:G7 30.Aug.93 -382098. -459421. 65.215 17.6581 35.3352 -8.1390 -4.2397 162.6705 51.4582 -0.0300 0. Ba(Lac)+ BaCH3CH2OCO2+ Ba(Lac)+ Ba(1)C(3)H(5)O(3)+(1) ref:G7 30.Aug.93 -257433. -291416. 41.000 8.7414 13.5626 0.4195 -3.3396 70.2142 19.4498 -0.0697 1. Ba(Lac)2,AQ Ba(CH3CH2OCO2)2 Ba(Lac)2,AQ Ba(1)C(6)H(10)O(6) ref:G7 30.Aug.93 -380522. -453654. 80.919 18.4752 37.3316 -8.9265 -4.3222 156.8818 49.4461 -0.0300 0. Mn(Lac)+ MnCH3CH2OCO2+ Mn(Lac)+ Mn(1)C(3)H(5)O(3)+(1) ref:G7 30.Aug.93 -178981. -217756. 17.615 8.1746 12.1772 0.9667 -3.2823 84.2783 23.2081 0.2832 1. Mn(Lac)2,AQ Mn(CH3CH2OCO2)2 Mn(Lac)2,AQ Mn(1)C(6)H(10)O(6) ref:G7 30.Aug.93 -302971. -383047. 50.317 17.7108 35.4655 -8.1945 -4.2450 177.9788 56.7789 -0.0300 0. Co(Lac)+ CoCH3CH2OCO2+ Co(Lac)+ Co(1)C(3)H(5)O(3)+(1) ref:G7 30.Aug.93 -137385. -179856. 4.799 7.1281 9.6212 1.9722 -3.1766 81.2111 21.5123 0.4799 1. Co(Lac)2,AQ Co(CH3CH2OCO2)2 Co(Lac)2,AQ Co(1)C(6)H(10)O(6) ref:G7 30.Aug.93 -261457. -346408. 33.545 16.4707 32.4370 -7.0030 -4.1198 168.4594 53.4702 -0.0300 0. Ni(Lac)+ NiCH3CH2OCO2+ Ni(Lac)+ Ni(1)C(3)H(5)O(3)+(1) ref:G7B 2.Jun.98 -135599. -179621. -0.382 6.4541 7.9800 2.6079 -3.1088 76.8142 19.7248 0.5608 1. Ni(Lac)2,AQ Ni(CH3CH2OCO2)2 Ni(Lac)2,AQ Ni(1)C(6)H(10)O(6) ref:G7 30.Aug.93 -259957. -346896. 26.765 15.6892 30.5284 -6.2512 -4.0409 158.4254 49.9827 -0.0300 0. Cu(Lac)+ CuCH3CH2OCO2+ Cu(Lac)+ Cu(1)C(3)H(5)O(3)+(1) ref:G7 16.Aug.93 -110347. -151481. 9.980 7.0703 9.4856 2.0147 -3.1710 83.2379 22.4748 0.3993 1. Cu(Lac)2,AQ Cu(CH3CH2OCO2)2 Cu(Lac)2,AQ Cu(1)C(6)H(10)O(6) ref:G7 16.Aug.93 -235047. -318184. 40.325 16.4367 32.3514 -6.9634 -4.1163 173.8623 55.3481 -0.0300 0. Zn(Lac)+ ZnCH3CH2OCO2+ Zn(Lac)+ Zn(1)C(3)H(5)O(3)+(1) ref:G7 30.Aug.93 -160731. -200064. 18.000 7.0755 9.4969 2.0126 -3.1715 81.3400 22.1998 0.2792 1. Zn(Lac)2,AQ Zn(CH3CH2OCO2)2 Zn(Lac)2,AQ Zn(1)C(6)H(10)O(6) ref:G7 30.Aug.93 -285376. -364728. 55.000 16.4877 32.4799 -7.0229 -4.1216 172.3186 54.8116 -0.0300 0. Cd(Lac)+ CdCH3CH2OCO2+ Cd(Lac)+ Cd(1)C(3)H(5)O(3)+(1) ref:G7 30.Aug.93 -143409. -183519. 17.888 8.4019 12.7361 0.7390 -3.3054 85.0322 23.4831 0.2792 1. Cd(Lac)2,AQ Cd(CH3CH2OCO2)2 Cd(Lac)2,AQ Cd(1)C(6)H(10)O(6) ref:G7 30.Aug.93 -267699. -349085. 50.673 17.9656 36.0834 -8.4279 -4.2706 179.5224 57.3155 -0.0300 0. La(Lac)+2 LaCH3CH2OCO2+2 La(Lac)+2 La(1)C(3)H(5)O(3)+(2) ref:G7A 30.Aug.93 -291087. -337701. -18.338 5.2529 5.0431 3.7711 -2.9874 76.8931 17.2652 1.3375 2. Lu(Lac)+2 LuCH3CH2OCO2+2 Lu(Lac)+2 Lu(1)C(3)H(5)O(3)+(2) ref:G7 30.Aug.93 -287182. -338081. -34.080 4.3587 2.8618 4.6243 -2.8972 85.9749 19.6485 1.5790 2. Na(Lac),AQ NaCH3CH2OCO2 Na(Lac),AQ Na(1)C(3)H(5)O(3) ref:G7 16.Aug.93 -185189. -221669. 45.533 10.5067 17.8733 -1.2760 -3.5178 72.1974 20.0121 -0.0300 0. Na(Lac)2- Na(CH3CH2OCO2)2- Na(Lac)2- Na(1)C(6)H(10)O(6)-(1) ref:G7 16.Aug.93 -307610. -388006. 69.462 20.6323 42.5939 -10.9852 -4.5397 164.3333 50.0919 0.5771 -1. K(Lac),AQ KCH3CH2OCO2 K(Lac),AQ K(1)C(3)H(5)O(3) ref:G7 30.Aug.93 -190081. -223541. 58.868 12.0572 21.6610 -2.7676 -3.6744 62.8615 16.7671 -0.0300 0. K(Lac)2- K(CH3CH2OCO2)2- K(Lac)2- K(1)C(6)H(10)O(6)-(1) ref:G7 30.Aug.93 -312475. -388842. 86.182 22.2742 46.6039 -12.5625 -4.7055 143.7822 43.7607 0.3236 -1. Pb(Lac)+ PbCH3CH2OCO2+ Pb(Lac)+ Pb(1)C(3)H(5)O(3)+(1) ref:G7 16.Aug.93 -131350. -163610. 47.338 8.2516 12.3686 0.8843 -3.2902 68.8031 19.2665 -0.1656 1. Pb(Lac)2,AQ Pb(CH3CH2OCO2)2 Pb(Lac)2,AQ Pb(1)C(6)H(10)O(6) ref:G7 16.Aug.93 -256295. -327120. 89.213 17.9656 36.0834 -8.4279 -4.2706 155.8527 49.0884 -0.0300 0. Fe(Lac)+ FeCH3CH2OCO2+ Fe(Lac)+ Fe(1)C(3)H(5)O(3)+(1) ref:G7B 2.Jun.98 -147289. -189013. 6.708 7.4532 10.4168 1.6567 -3.2095 80.5362 21.3748 0.4496 1. Fe(Lac)2,AQ Fe(CH3CH2OCO2)2 Fe(Lac)2,AQ Fe(1)C(6)H(10)O(6) ref:G7B 2.Jun.98 -272042. -356112. 36.043 16.8444 33.3487 -7.3593 -4.1575 167.6874 53.2020 -0.0300 0. Eu(Lac)+ Eu(CH3CH2OCO2)+ Eu(Lac)+ Eu(1)C(3)H(5)O(3)+(1) ref:G7 30.Aug.93 -252899. -288803. 38.339 10.3407 17.4658 -1.1113 -3.5009 94.7163 27.8372 -0.0294 1. Eu(Lac)2,AQ Eu(CH3CH2OCO2)2 Eu(Lac)2,AQ Eu(1)C(6)H(10)O(6) ref:G7 30.Aug.93 -376425. -451723. 77.437 20.2419 41.6449 -10.6207 -4.5005 203.9641 65.8108 -0.0300 0. Li(Glyc),AQ LiCH3OCO2 Li(Glyc),AQ Li(1)C(2)H(3)O(3) ref:G7 30.Aug.93 -190953. -221668. 27.000 8.2991 12.4812 0.8472 -3.2949 57.0031 14.7309 -0.0300 0. Mg(Glyc)+ MgCH3OCO2+ Mg(Glyc)+ Mg(1)C(2)H(3)O(3)+(1) ref:G7 30.Aug.93 -231489. -266450. -2.000 5.3533 5.2917 3.6660 -2.9977 63.4339 15.0028 0.5831 1. Mg(Glyc)2,AQ Mg(CH3OCO2)2 Mg(Glyc)2,AQ Mg(1)C(4)H(6)O(6) ref:G7 30.Aug.93 -353983. -424040. 18.948 12.2102 22.0339 -2.9133 -3.6898 122.3206 37.4335 -0.0300 0. Ca(Glyc)+ CaCH3OCO2+ Ca(Glyc)+ Ca(1)C(2)H(3)O(3)+(1) ref:G7 16.Aug.93 -255541. -285318. 17.505 5.7854 6.3436 3.2594 -3.0411 57.8209 13.9991 0.2873 1. Ca(Glyc)2,AQ Ca(CH3OCO2)2 Ca(Glyc)2,AQ Ca(1)C(4)H(6)O(6) ref:G7 16.Aug.93 -378403. -441481. 44.473 12.8031 23.4820 -3.4840 -3.7496 116.6861 35.4751 -0.0300 0. Sr(Glyc)+ SrCH3OCO2+ Sr(Glyc)+ Sr(1)C(2)H(3)O(3)+(1) ref:G7 30.Aug.93 -257717. -286078. 25.645 5.8421 6.4821 3.2052 -3.0469 53.3420 12.8441 0.1618 1. Sr(Glyc)2,AQ Sr(CH3OCO2)2 Sr(Glyc)2,AQ Sr(1)C(4)H(6)O(6) ref:G7 30.Aug.93 -380197. -441109. 55.125 12.9135 23.7481 -3.5809 -3.7606 110.2025 33.2217 -0.0300 0. Ba(Glyc)+ BaCH3OCO2+ Ba(Glyc)+ Ba(1)C(2)H(3)O(3)+(1) ref:G7 30.Aug.93 -256564. -282924. 34.000 6.5329 8.1729 2.5314 -3.1168 49.2137 11.8129 0.0358 1. Ba(Glyc)2,AQ Ba(CH3OCO2)2 Ba(Glyc)2,AQ Ba(1)C(4)H(6)O(6) ref:G7 30.Aug.93 -378689. -436833. 66.059 13.7306 25.7444 -4.3677 -3.8432 104.4137 31.2096 -0.0300 0. Mn(Glyc)+ MnCH3OCO2+ Mn(Glyc)+ Mn(1)C(2)H(3)O(3)+(1) ref:G7 30.Aug.93 -177828. -208594. 11.915 5.9609 6.7761 3.0811 -3.0590 63.1381 15.5712 0.3735 1. Mn(Glyc)2,AQ Mn(CH3OCO2)2 Mn(Glyc)2,AQ Mn(1)C(4)H(6)O(6) ref:G7 30.Aug.93 -300155. -364736. 37.157 12.9661 23.8786 -3.6359 -3.7660 125.5108 38.5424 -0.0300 0. Co(Glyc)+ CoCH3OCO2+ Co(Glyc)+ Co(1)C(2)H(3)O(3)+(1) ref:G7 30.Aug.93 -136871. -171331. -0.901 4.9137 4.2158 4.0944 -2.9532 60.0521 13.8754 0.5681 1. Co(Glyc)2,AQ Co(CH3OCO2)2 Co(Glyc)2,AQ Co(1)C(4)H(6)O(6) ref:G7 30.Aug.93 -260101. -329556. 20.386 11.7260 20.8501 -2.4444 -3.6408 115.9914 35.2337 -0.0300 0. Ni(Glyc)+ NiCH3OCO2+ Ni(Glyc)+ Ni(1)C(2)H(3)O(3)+(1) ref:G7 30.Aug.93 -135153. -171125. -6.082 4.2391 2.5699 4.7380 -2.8851 55.6378 12.0879 0.6472 1. Ni(Glyc)2,AQ Ni(CH3OCO2)2 Ni(Glyc)2,AQ Ni(1)C(4)H(6)O(6) ref:G7 30.Aug.93 -258711. -330154. 13.605 10.9446 18.9412 -1.6924 -3.5619 105.9573 31.7462 -0.0300 0. Cu(Glyc)+ CuCH3OCO2+ Cu(Glyc)+ Cu(1)C(2)H(3)O(3)+(1) ref:G7 16.Aug.93 -109438. -142561. 4.280 4.8555 4.0750 4.1470 -2.9474 62.0660 14.8378 0.4862 1. Cu(Glyc)2,AQ Cu(CH3OCO2)2 Cu(Glyc)2,AQ Cu(1)C(4)H(6)O(6) ref:G7 16.Aug.93 -233022. -300664. 27.166 11.6921 20.7705 -2.4205 -3.6376 121.3943 37.1116 -0.0300 0. Zn(Glyc)+ ZnCH3OCO2+ Zn(Glyc)+ Zn(1)C(2)H(3)O(3)+(1) ref:G7B 2.Jun.98 -159617. -194586. 0.190 4.9216 4.2387 4.0776 -2.9541 61.8303 14.5628 0.5464 1. Zn(Glyc)2,AQ Zn(CH3OCO2)2 Zn(Glyc)2,AQ Zn(1)C(4)H(6)O(6) ref:G7 30.Aug.93 -283311. -353139. 21.813 11.7430 20.8930 -2.4643 -3.6426 119.8505 36.5751 -0.0300 0. Cd(Glyc)+ CdCH3OCO2+ Cd(Glyc)+ Cd(1)C(2)H(3)O(3)+(1) ref:G7 30.Aug.93 -142281. -174381. 12.188 6.1880 7.3293 2.8656 -3.0819 63.8836 15.8461 0.3686 1. Cd(Glyc)2,AQ Cd(CH3OCO2)2 Cd(Glyc)2,AQ Cd(1)C(4)H(6)O(6) ref:G7 30.Aug.93 -265388. -331279. 37.514 13.2210 24.5024 -3.8851 -3.7918 127.0546 39.0789 -0.0300 0. Eu(Glyc)+ EuCH3OCO2+ Eu(Glyc)+ Eu(1)C(2)H(3)O(3)+(1) ref:G7 30.Aug.93 -252044. -279938. 32.639 8.1255 12.0562 1.0166 -3.2773 73.5346 20.2002 0.0564 1. Eu(Glyc)2,AQ Eu(CH3OCO2)2 Eu(Glyc)2,AQ Eu(1)C(4)H(6)O(6) ref:G7 30.Aug.93 -374046. -433849. 64.278 15.4973 30.0577 -6.0619 -4.0215 151.4961 47.5743 -0.0300 0. Na(Glyc),AQ Na(CH3OCO2) Na(Glyc),AQ Na(1)C(2)H(3)O(3) ref:G7 16.Aug.93 -183829. -212299. 39.833 8.2625 12.3962 0.8714 -3.2914 50.2253 12.3751 -0.0300 0. Na(Glyc)2- Na(CH3OCO2)2- Na(Glyc)2- Na(1)C(4)H(6)O(6)-(1) ref:G7 16.Aug.93 -304876. -369684. 56.615 15.9533 31.1718 -6.5007 -4.0675 113.6563 31.8554 0.7716 -1. K(Glyc),AQ KCH3OCO2 K(Glyc),AQ K(1)C(2)H(3)O(3) ref:G7 30.Aug.93 -188721. -214171. 53.168 9.8131 16.1774 -0.6044 -3.4477 40.8892 9.1302 -0.0300 0. K(Glyc)2- K(CH3OCO2)2- K(Glyc)2- K(1)C(4)H(6)O(6)-(1) ref:G7 30.Aug.93 -309741. -370519. 73.335 17.5955 35.1810 -8.0761 -4.2333 93.1092 25.5242 0.5185 -1. Pb(Glyc)+ PbCH3OCO2+ Pb(Glyc)+ Pb(1)C(2)H(3)O(3)+(1) ref:G7 16.Aug.93 -130018. -154267. 41.638 8.2809 12.4416 0.8529 -3.2932 47.6306 11.6296 -0.0788 1. Pb(Glyc)2,AQ Pb(CH3OCO2)2 Pb(Glyc)2,AQ Pb(1)C(4)H(6)O(6) ref:G7 16.Aug.93 -253616. -308946. 76.1054 17.9656 36.0834 -8.4279 -4.2706 103.3846 30.8519 -0.0300 0. Fe(Glyc)+ FeCH3OCO2+ Fe(Glyc)+ Fe(1)C(2)H(3)O(3)+(1) ref:G7B 2.Jun.98 -146010. -179712. 1.008 7.4836 10.4932 1.6217 -3.2127 59.3916 13.7379 0.5394 1. Fe(Glyc)2,AQ Fe(CH3OCO2)2 Fe(Glyc)2,AQ Fe(1)C(4)H(6)O(6) ref:G7B 2.Jun.98 -269459. -338010. 22.883 16.8444 33.3487 -7.3593 -4.1575 115.2196 34.9654 -0.0300 0. Mg(For)+ MgCHO2+ Mg(For)+ Mg(1)C(1)H(1)O(2)+(1) ref:G7 26.Aug.93 -194318. -215678. -13.582 3.5392 0.8593 5.4140 -2.8144 34.0484 4.2279 0.7584 1. Mg(For)2,AQ Mg(CHO2)2 Mg(For)2,AQ Mg(1)C(2)H(2)O(4) ref:G7B 2.Jun.98 -279367. -321275. -0.709 8.2496 12.3613 0.8923 -3.2899 48.2938 11.7038 -0.0300 0. Ca(For)+ CaCHO2+ Ca(For)+ Ca(1)C(1)H(1)O(2)+(1) ref:G7 16.Aug.93 -217933. -231998. 13.005 3.9346 1.8264 5.0305 -2.8544 27.4342 3.2242 0.3539 1. Ca(For)2,AQ Ca(CHO2)2 Ca(For)2,AQ Ca(1)C(2)H(2)O(4) ref:G7 16.Aug.93 -302982. -335050. 34.084 8.8425 13.8094 0.3220 -3.3498 42.6594 9.7454 -0.0300 0. Sr(For)+ SrCHO2+ Sr(For)+ Sr(1)C(1)H(1)O(2)+(1) ref:G7 26.Aug.93 -220518. -233167. 21.145 3.9918 1.9636 4.9821 -2.8601 22.9691 2.0692 0.2299 1. Sr(For)2,AQ Sr(CHO2)2 Sr(For)2,AQ Sr(1)C(2)H(2)O(4) ref:G7 26.Aug.93 -305513. -335415. 44.736 8.9529 14.0817 0.2091 -3.3610 36.1759 7.4919 -0.0300 0. Ba(For)+ BaCHO2+ Ba(For)+ Ba(1)C(1)H(1)O(2)+(1) ref:G7 26.Aug.93 -219775. -228918. 34.547 4.6569 3.5906 4.3358 -2.9273 18.1411 1.0380 0.0279 1. Ba(For)2,AQ Ba(CHO2)2 Ba(For)2,AQ Ba(1)C(2)H(2)O(4) ref:G7 26.Aug.93 -304769. -329933. 62.275 9.7700 16.0719 -0.5623 -3.4433 30.3870 5.4799 -0.0300 0. Cu(For)+ CuCHO2+ Cu(For)+ Cu(1)C(1)H(1)O(2)+(1) ref:G7B 2.Jun.98 -70888. -88344. -0.220 3.0050 -0.4430 5.9211 -2.7606 31.6869 4.0629 0.5536 1. Cu(For)2,AQ Cu(CHO2)2 Cu(For)2,AQ Cu(1)C(2)H(2)O(4) ref:G7 16.Aug.93 -156551. -193183. 16.777 7.7315 11.0979 1.3851 -3.2377 47.3676 11.3819 -0.0300 0. Cd(For)+ CdCHO2+ Cd(For)+ Cd(1)C(1)H(1)O(2)+(1) ref:G7 26.Aug.93 -104932. -121320. 7.688 4.3381 2.8097 4.6479 -2.8951 33.5224 5.0712 0.4379 1. Cd(For)2,AQ Cd(CHO2)2 Cd(For)2,AQ Cd(1)C(2)H(2)O(4) ref:G7 26.Aug.93 -191523. -226403. 27.125 9.2604 14.8299 -0.0792 -3.3920 53.0278 13.3492 -0.0300 0. Na(For),AQ NaCHO2 Na(For),AQ Na(1)C(1)H(1)O(2) ref:G7 16.Aug.93 -146521. -159279. 35.333 6.3891 7.8196 2.6757 -3.1022 19.2249 1.6002 -0.0300 0. Na(For)2- Na(CH02)2- Na(For)2- Na(1)C(2)H(2)O(4)-(1) ref:G7 16.Aug.93 -230001. -263725. 45.473 12.0449 21.6308 -2.7566 -3.6731 41.0498 6.1257 0.9257 -1. K(For),AQ KCHO2 K(For),AQ K(1)C(1)H(1)O(2) ref:G7 26.Aug.93 -151413. -161151. 48.668 7.9397 11.6070 1.1839 -3.2587 9.8889 -1.6447 -0.0300 0. K(For)2- K(CHO2)2- K(For)2- K(1)C(2)H(2)O(4)-(1) ref:G7 26.Aug.93 -234866. -264561. 63.193 13.6868 25.6408 -4.3345 -3.8389 20.4973 -0.2055 0.6721 -1. La(For)+2 LaCHO2+2 La(For)+2 La(1)C(1)H(1)O(2)+(2) ref:G7 26.Aug.93 -251450. -274343. -28.538 1.1858 -4.8808 7.6567 -2.5771 25.2949 -1.1466 1.4867 2. La(For)2+ La(CHO2)2+ La(For)2+ La(1)C(2)H(2)O(4)+(1) ref:G7 26.Aug.93 -337849. -378757. -7.498 5.5879 5.8627 3.4454 -3.0213 25.8186 1.6684 0.6644 1. Eu(For)+ EuCHO2+ Eu(For)+ Eu(1)C(1)H(1)O(2)+(1) ref:G7 26.Aug.93 -214872. -227054. 28.139 6.2755 7.5431 2.7814 -3.0907 43.1702 9.4253 0.1254 1. Eu(For)2,AQ Eu(CHO2)2 Eu(For)2,AQ Eu(1)C(2)H(2)O(4) ref:G7 26.Aug.93 -300521. -329314. 53.889 11.5367 20.3852 -2.2565 -3.6216 77.4695 21.8445 -0.0300 0. U(For)+2 UCHO2+2 U(For)+2 U(1)C(1)H(1)O(2)+(2) ref:G7 26.Aug.93 -201409. -221316. -20.170 1.1596 -4.9432 7.6782 -2.5745 24.5615 -1.0091 1.3642 2. U(For)2+ U(CHO2)2+ U(For)2+ U(1)C(2)H(2)O(4)+(1) ref:G7B 2.Jun.98 -288791. -325921. 3.911 5.5468 5.7644 3.4796 -3.0172 25.0070 1.9367 0.4925 1. Eu(For)+2 EuCHO2+2 Eu(For)+2 Eu(1)C(1)H(1)O(2)+(2) ref:G7 26.Aug.93 -224968. -249786. -29.956 0.7809 -5.8667 8.0384 -2.5364 26.2700 -0.8716 1.5067 2. Eu(For)2+ Eu(CHO2)2+ Eu(For)2+ Eu(1)C(2)H(2)O(4)+(1) ref:G7B 2.Jun.98 -311559. -354544. -9.431 5.1383 4.7630 3.8812 -2.9758 27.6085 2.2050 0.6911 1. Gd(For)+2 GdCHO2+2 Gd(For)+2 Gd(1)C(1)H(1)O(2)+(2) ref:G7 16.Aug.93 -246091. -268634. -24.567 0.8917 -5.5954 7.9307 -2.5476 26.4744 -0.5508 1.4287 2. Gd(For)2+ Gd(CHO2)2+ Gd(For)2+ Gd(1)C(2)H(2)O(4)+(1) ref:G7 16.Aug.93 -332531. -372659. -2.084 5.2546 5.0511 3.7601 -2.9877 28.4144 2.8309 0.5831 1. Yb(For)+2 YbCHO2+2 Yb(For)+2 Yb(1)C(1)H(1)O(2)+(2) ref:G7 26.Aug.93 -240545. -265749. -35.487 0.3247 -6.9803 8.4752 -2.4903 27.3976 -0.7799 1.6005 2. Yb(For)2+ Yb(CHO2)2+ Yb(For)2+ Yb(1)C(2)H(2)O(4)+(1) ref:G7 26.Aug.93 -327027. -370998. -16.973 4.6352 3.5352 4.3629 -2.9250 29.2285 2.3838 0.8111 1. Pb(For)+ PbCHO2+ Pb(For)+ Pb(1)C(1)H(1)O(2)+(1) ref:G7 16.Aug.93 -92150. -100688. 37.138 4.1867 2.4389 4.7962 -2.8797 17.2647 0.8546 -0.0100 1. Pb(For)2,AQ Pb(CHO2)2 Pb(For)2,AQ Pb(1)C(2)H(2)O(4) ref:G7 16.Aug.93 -177718. -202038. 65.665 9.2604 14.8299 -0.0792 -3.3920 29.3579 5.1222 -0.0300 0. Mn(For)+ MnCHO2+ Mn(For)+ Mn(1)C(1)H(1)O(2)+(1) ref:G7 26.Aug.93 -140681. -155735. 7.415 4.1094 2.2545 4.8590 -2.8721 32.7312 4.7962 0.4379 1. Mn(For)2,AQ Mn(CHO2)2 Mn(For)2,AQ Mn(1)C(2)H(2)O(4) ref:G7 26.Aug.93 -226030. -259601. 26.769 9.0055 14.2060 0.1701 -3.3662 51.4842 12.8126 -0.0300 0. Co(For)+ CoCHO2+ Co(For)+ Co(1)C(1)H(1)O(2)+(1) ref:G7 26.Aug.93 -99399. -118148. -5.401 3.0614 -0.3037 5.8638 -2.7663 29.6264 3.1004 0.6305 1. Co(For)2,AQ Co(CHO2)2 Co(For)2,AQ Co(1)C(2)H(2)O(4) ref:G7 26.Aug.93 -184926. -223371. 9.997 7.7655 11.1773 1.3615 -3.2410 41.9649 9.5039 -0.0300 0. Ni(For)+ NiCHO2+ Ni(For)+ Ni(1)C(1)H(1)O(2)+(1) ref:G7 26.Aug.93 -97313. -117573. -10.582 2.3868 -1.9558 6.5236 -2.6980 25.2125 1.3130 0.7096 1. Ni(For)2,AQ Ni(CHO2)2 Ni(For)2,AQ Ni(1)C(2)H(2)O(4) ref:G7B 2.Jun.98 -182853. -223391. 3.217 6.9840 9.2687 2.1133 -3.1621 31.9308 6.0164 -0.0300 0. Zn(For)+ ZnCHO2+ Zn(For)+ Zn(1)C(1)H(1)O(2)+(1) ref:G7 26.Aug.93 -121477. -140698. -4.310 3.0712 -0.2795 5.8532 -2.7673 31.4547 3.7879 0.6143 1. Zn(For)2,AQ Zn(CHO2)2 Zn(For)2,AQ Zn(1)C(2)H(2)O(4) ref:G7 26.Aug.93 -206908. -245726. 11.424 7.7824 11.2204 1.3417 -3.2428 45.8240 10.8453 -0.0300 0. Fe(For)+ FeCHO2+ Fe(For)+ Fe(1)C(1)H(1)O(2)+(1) ref:G7 16.Aug.93 -108225. -125651. -3.492 3.3887 0.4923 5.5575 -2.7993 29.0080 2.9629 0.6063 1. Fe(For)2,AQ Fe(CHO2)2 Fe(For)2,AQ Fe(1)C(2)H(2)O(4) ref:G7 16.Aug.93 -193710. -230658. 12.495 8.1392 12.0952 0.9892 -3.2789 41.1929 9.2357 -0.0300 0. Mg(Prop)+ MgCH3CH2CO2+ Mg(Prop)+ Mg(1)C(3)H(5)O(2)+(1) ref:G7 15.Sep.93 -196257. -235660. -8.782 7.4530 10.4173 1.6547 -3.2096 90.8863 24.2277 0.6821 1. Mg(Prop)2,AQ Mg(CH3CH2CO2)2 Mg(Prop)2,AQ Mg(1)C(6)H(10)O(4) ref:G7 15.Sep.93 -283437. -360889. 10.373 16.5787 32.6970 -7.0965 -4.1306 185.6977 59.4618 -0.0300 0. Ca(Prop)+ CaCH3CH2CO2+ Ca(Prop)+ Ca(1)C(3)H(5)O(2)+(1) ref:G7 15.Sep.93 -219818. -251925. 17.805 7.8503 11.3857 1.2776 -3.2496 84.3239 23.2239 0.2832 1. Ca(Prop)2,AQ Ca(CH3CH2CO2)2 Ca(Prop)2,AQ Ca(1)C(6)H(10)O(4) ref:G7 15.Sep.93 -306942. -374653. 45.165 17.1716 34.1451 -7.6668 -4.1905 180.0633 57.5034 -0.0300 0. Sr(Prop)+ SrCH3CH2CO2+ Sr(Prop)+ Sr(1)C(3)H(5)O(2)+(1) ref:G7 15.Sep.93 -221857. -252548. 25.945 7.9074 11.5294 1.2116 -3.2555 79.8554 22.0690 0.1589 1. Sr(Prop)2,AQ Sr(CH3CH2CO2)2 Sr(Prop)2,AQ Sr(1)C(6)H(10)O(4) ref:G7 15.Sep.93 -308491. -374036. 55.817 17.2820 34.4174 -7.7796 -4.2017 173.5798 55.2499 -0.0300 0. Ba(Prop)+ BaCH3CH2CO2+ Ba(Prop)+ Ba(1)C(3)H(5)O(2)+(1) ref:G7 15.Sep.93 -221005. -248190. 39.347 8.5720 13.1515 0.5756 -3.3226 75.0141 21.0377 -0.0446 1. Ba(Prop)2,AQ Ba(CH3CH2CO2)2 Ba(Prop)2,AQ Ba(1)C(6)H(10)O(4) ref:G7 15.Sep.93 -307529. -368336. 73.356 18.0991 36.4138 -8.5671 -4.2842 167.7909 53.2379 -0.0300 0. Eu(Prop)+ EuCH3CH2CO2+ Eu(Prop)+ Eu(1)C(3)H(5)O(2)+(1) ref:G7B 15.Sep.93 -216648. -246872. 32.939 10.1903 17.0986 -0.9659 -3.4858 100.0361 29.4251 0.0521 1. Eu(Prop)2,AQ Eu(CH3CH2CO2)2 Eu(Prop)2,AQ Eu(1)C(6)H(10)O(4) ref:G7 15.Sep.93 -303186. -367621. 64.970 19.8658 40.7270 -10.2606 -4.4626 214.8734 69.6025 -0.0300 0. Cu(Prop)+ CuCH3CH2CO2+ Cu(Prop)+ Cu(1)C(3)H(5)O(2)+(1) ref:G7 16.Aug.93 -74124. -109577. 4.580 6.9197 9.1126 2.1719 -3.1556 88.5486 24.0627 0.4799 1. Cu(Prop)2,AQ Cu(CH3CH2CO2)2 Cu(Prop)2,AQ Cu(1)C(6)H(10)O(4) ref:G7 16.Aug.93 -162995. -235268. 27.858 16.0606 31.4336 -6.6036 -4.0784 184.7714 59.1399 -0.0300 0. Cd(Prop)+ CdCH3CH2CO2+ Cd(Prop)+ Cd(1)C(3)H(5)O(2)+(1) ref:G7 15.Sep.93 -107908. -142338. 12.488 8.2526 12.3660 0.8957 -3.2901 90.3786 25.0710 0.3636 1. Cd(Prop)2,AQ Cd(CH3CH2CO2)2 Cd(Prop)2,AQ Cd(1)C(6)H(10)O(4) ref:G7 15.Sep.93 -196520. -267043. 38.207 17.5895 35.1655 -8.0682 -4.2326 190.4317 61.1072 -0.0300 0. Pb(Prop)+ PbCH3CH2CO2+ Pb(Prop)+ Pb(1)C(3)H(5)O(2)+(1) ref:G7 16.Aug.93 -95672. -122252. 41.938 8.1013 12.0011 1.0303 -3.2750 74.1249 20.8544 -0.0838 1. Pb(Prop)2,AQ Pb(CH3CH2CO2)2 Pb(Prop)2,AQ Pb(1)C(6)H(10)O(4) ref:G7 16.Aug.93 -184202. -244164. 76.746 17.5895 35.1655 -8.0682 -4.2326 166.7618 52.8802 -0.0300 0. Na(Prop),AQ NaCH3CH2CO2 Na(Prop),AQ Na(1)C(3)H(5)O(2) ref:G7 16.Aug.93 -149429. -180229. 40.133 10.3288 17.4408 -1.1100 -3.4999 76.7660 21.5999 -0.0300 0. Na(Prop)2- Na(CH3CH2CO2)2- Na(Prop)2- Na(1)C(6)H(10)O(4)-(1) ref:G7 16.Aug.93 -235845. -305289. 57.291 20.3185 41.8311 -10.6923 -4.5082 176.9413 53.8837 0.7616 -1. K(Prop),AQ KCH3CH2CO2 K(Prop),AQ K(1)C(3)H(5)O(2) ref:G7 15.Sep.93 -154321. -182101. 53.468 11.8793 21.2223 -2.5860 -3.6562 67.4299 18.3550 -0.0300 0. K(Prop)2- K(CH3CH2CO2)2- K(Prop)2- K(1)C(6)H(10)O(4)-(1) ref:G7 15.Sep.93 -240709. -306125. 74.011 21.9605 45.8408 -12.2686 -4.6740 156.3920 47.5525 0.5082 -1. La(Prop)+2 LaCH3CH2CO2+2 La(Prop)+2 La(1)C(3)H(5)O(2)+(2) ref:G7 15.Sep.93 -254208. -295142. -23.738 5.1026 4.6756 3.9168 -2.9722 82.2145 18.8530 1.4192 2. La(Prop)2+ La(CH3CH2CO2)2+ La(Prop)2+ La(1)C(6)H(10)O(4)+(1) ref:G7 15.Sep.93 -343420. -419891. 3.847 13.8589 26.0573 -4.4896 -3.8561 161.6388 49.4265 0.4925 1. Eu(Prop)+2 EuCH3CH2CO2+2 Eu(Prop)+2 Eu(1)C(3)H(5)O(2)+(2) ref:G7 15.Sep.93 -227972. -270831. -25.156 4.6974 3.6905 4.2941 -2.9315 83.1800 19.1280 1.4382 2. Eu(Prop)2+ Eu(CH3CH2CO2)2+ Eu(Prop)2+ Eu(1)C(6)H(10)O(4)+(1) ref:G7 2.Jun.98 -317566. -396115. 1.913 13.4114 24.9646 -4.0601 -3.8109 163.4871 49.9630 0.5256 1. Gd(Prop)+2 GdCH3CH2CO2+2 Gd(Prop)+2 Gd(1)C(3)H(5)O(2)+(2) ref:G7 16.Aug.93 -249081. -289666. -19.767 4.8065 3.9537 4.1983 -2.9423 83.3388 19.4489 1.3552 2. Gd(Prop)2+ Gd(CH3CH2CO2)2+ Gd(Prop)2+ Gd(1)C(6)H(10)O(4)+(1) ref:G7 16.Aug.93 -338525. -414216. 9.261 13.5253 25.2465 -4.1796 -3.8226 164.2235 50.5890 0.4100 1. Yb(Prop)+2 YbCH3CH2CO2+2 Yb(Prop)+2 Yb(1)C(3)H(5)O(2)+(2) ref:G7 15.Sep.93 -243276. -286522. -30.687 4.2395 2.5689 4.7426 -2.8851 84.2616 19.2197 1.5269 2. Yb(Prop)2+ Yb(CH3CH2CO2)2+ Yb(Prop)2+ Yb(1)C(6)H(10)O(4)+(1) ref:G7 15.Sep.93 -332543. -412078. -5.628 12.9061 23.7300 -3.5735 -3.7599 165.0447 50.1419 0.6388 1. U(Prop)+2 UCH3CH2CO2+2 U(Prop)+2 U(1)C(3)H(5)O(2)+(2) ref:G7 15.Sep.93 -204317. -242266. -15.370 5.0757 4.6150 3.9293 -2.9697 81.4601 18.9905 1.2944 2. U(Prop)2+ U(CH3CH2CO2)2+ U(Prop)2+ U(1)C(6)H(10)O(4)+(1) ref:G7 15.Sep.93 -293529. -366108. 15.255 13.8181 25.9582 -4.4517 -3.8520 160.8356 49.6947 0.3215 1. Co(Prop)+ CoCH3CH2CO2+ Co(Prop)+ Co(1)C(3)H(5)O(2)+(1) ref:G7 15.Sep.93 -101557. -138347. -0.601 6.9775 9.2545 2.1152 -3.1615 86.5252 23.1002 0.5608 1. Co(Prop)2,AQ Co(CH3CH2CO2)2 Co(Prop)2,AQ Co(1)C(6)H(10)O(4) ref:G7 15.Sep.93 -189405. -263492. 21.078 16.0946 31.5192 -6.6433 -4.0819 179.3685 57.2620 -0.0300 0. Ni(Prop)+ NiCH3CH2CO2+ Ni(Prop)+ Ni(1)C(3)H(5)O(2)+(1) ref:G7 15.Sep.93 -99635. -137936. -5.782 6.3025 7.6097 2.7546 -3.0935 82.1010 21.3127 0.6388 1. Ni(Prop)2,AQ Ni(CH3CH2CO2)2 Ni(Prop)2,AQ Ni(1)C(6)H(10)O(4) ref:G7 15.Sep.93 -187632. -263708. 14.298 15.3131 29.6105 -5.8911 -4.0030 169.3347 53.7744 -0.0300 0. Zn(Prop)+ ZnCH3CH2CO2+ Zn(Prop)+ Zn(1)C(3)H(5)O(2)+(1) ref:G7 15.Sep.93 -123675. -160939. 0.490 6.9879 9.2834 2.0962 -3.1627 88.3708 23.7877 0.5464 1. Zn(Prop)2,AQ Zn(CH3CH2CO2)2 Zn(Prop)2,AQ Zn(1)C(6)H(10)O(4) ref:G7 15.Sep.93 -211455. -285915. 22.506 16.1116 31.5558 -6.6473 -4.0834 183.2279 58.6033 -0.0300 0. Fe(Prop)+ FeCH3CH2CO2+ Fe(Prop)+ Fe(1)C(3)H(5)O(2)+(1) ref:G7B 2.Jun.98 -110833. -146857. 1.308 7.3034 10.0542 1.7914 -3.1945 85.8682 22.9627 0.5324 1. Fe(Prop)2,AQ Fe(CH3CH2CO2)2 Fe(Prop)2,AQ Fe(1)C(6)H(10)O(4) ref:G7B 2.Jun.98 -199008. -272176. 23.576 16.4683 32.4309 -6.9996 -4.1196 178.5967 56.9937 -0.0300 0. Mn(Prop)+ MnCH3CH2CO2+ Mn(Prop)+ Mn(1)C(3)H(5)O(2)+(1) ref:G7 15.Sep.93 -143016. -176112. 12.215 8.0255 11.8128 1.1111 -3.2672 89.6329 24.7960 0.3686 1. Mn(Prop)2,AQ Mn(CH3CH2CO2)2 Mn(Prop)2,AQ Mn(1)C(6)H(10)O(4) ref:G7 15.Sep.93 -230823. -300037. 37.850 17.3347 34.5476 -7.8345 -4.2071 188.8879 60.5707 -0.0300 0. U(But)+2 UCH3(CH2)2CO2+2 U(But)+2 U(1)C(4)H(7)O(2)+(2) ref:G7B 2.Jun.98 -202157. -248278. -10.070 7.1485 9.6738 1.9467 -3.1788 95.4995 24.1323 1.2126 2. U(But)2+ U(CH3CH2CH2CO2)2+ U(But)2+ U(1)C(8)H(14)O(4)+(1) ref:G7B 2.Jun.98 -289537. -377877. 27.782 18.1945 36.6443 -8.6523 -4.2938 194.4029 61.9728 0.1308 1. Eu(But)+ EuCH3(CH2)2CO2+ Eu(But)+ Eu(1)C(4)H(7)O(2)+(1) ref:G7B 2.Jun.98 -214119. -252667. 38.239 12.2638 22.1618 -2.9570 -3.6951 114.0923 34.5668 -0.0278 1. Eu(But)2,AQ Eu(CH3CH2CH2CO2)2 Eu(But)2,AQ Eu(1)C(8)H(14)O(4) ref:G7B 2.Jun.98 -298525. -378958. 77.206 24.3067 51.5686 -14.5188 -4.9107 250.1983 81.8806 -0.0300 0. Mg(But)+ MgCH3(CH2)2CO2+ Mg(But)+ Mg(1)C(4)H(7)O(2)+(1) ref:G7B 2.Jun.98 -193879. -241438. -3.482 9.5279 15.4831 -0.3354 -3.4190 104.9814 29.3694 0.6063 1. Mg(But)2,AQ Mg(CH3CH2CH2CO2)2 Mg(But)2,AQ Mg(1)C(8)H(14)O(4) ref:G7B 2.Jun.98 -278694. -3719788. 22.608 21.0196 43.5448 -11.3703 -4.5790 221.0226 71.7399 -0.0300 0. Ca(But)+ CaCH3(CH2)2CO2+ Ca(But)+ Ca(1)C(4)H(7)O(2)+(1) ref:G7B 2.Jun.98 -217467. -257740. 23.105 9.9235 16.4497 -0.7166 -3.4589 98.3731 28.3657 0.2025 1. Ca(But)2,AQ Ca(CH3CH2CH2CO2)2 Ca(But)2,AQ Ca(1)C(8)H(14)O(4) ref:G7B 2.Jun.98 -302268. -385820. 57.401 21.6124 44.9931 -11.9404 -4.6389 215.3882 69.7815 -0.0300 0. Sr(But)+ SrCH3(CH2)2CO2+ Sr(But)+ Sr(1)C(4)H(7)O(2)+(1) ref:G7B 2.Jun.98 -219575. -258399. 31.245 9.9807 16.5869 -0.7651 -3.4646 93.9079 27.2107 0.0785 1. Sr(But)2,AQ Sr(CH3CH2CH2CO2)2 Sr(But)2,AQ Sr(1)C(8)H(17)O(4) ref:G7B 2.Jun.98 -303925. -385278. 68.053 21.7228 45.2592 -12.0373 -4.6499 208.9047 67.5280 -0.0300 0. Ba(But)+ BaCH3(CH2)2CO2+ Ba(But)+ Ba(1)C(4)H(7)O(2)+(1) ref:G7B 2.Jun.98 -218640. -253970. 44.647 10.6454 18.2150 -1.4160 -3.5319 89.0694 26.1794 -0.1247 1. Ba(But)2,AQ Ba(CH3CH2CH2CO2)2 Ba(But)2,AQ Ba(1)C(8)H(14)O(4) ref:G7B 2.Jun.98 -302827. -379450. 85.592 22.5399 47.2556 -12.8248 -4.7324 203.1160 65.5159 -0.0300 0. Cu(But)+ CuCH3(CH2)2CO2+ Cu(But)+ Cu(1)C(4)H(7)O(2)+(1) ref:G7B 2.Jun.98 -71854. -115462. 9.880 8.9947 14.1844 0.1682 -3.3653 102.6486 29.2044 0.4046 1. Cu(But)2,AQ Cu(CH3CH2CH2CO2)2 Cu(But)2,AQ Cu(1)C(8)H(14)O(4) ref:G7B 2.Jun.98 -158470. -246574. 40.094 20.5014 42.2754 -10.8613 -4.5266 220.0963 71.4180 -0.0300 0. Cd(But)+ CdCH3(CH2)2CO2+ Cd(But)+ Cd(1)C(4)H(7)O(2)+(1) ref:G7B 2.Jun.98 -105285. -147864. 17.788 10.3259 17.4297 -1.0970 -3.4994 104.4311 30.2127 0.2832 1. Cd(But)2,AQ Cd(CH3CH2CH2CO2)2 Cd(But)2,AQ Cd(1)C(8)H(14)O(4) ref:G7B 2.Jun.98 -191463. -277809. 50.443 22.0303 46.0136 -12.3417 -4.6811 225.7566 73.3853 -0.0300 0. Na(But),AQ NaCH3(CH2)2CO2 Na(But),AQ Na(1)C(4)H(7)O(2) ref:G7B 2.Jun.98 -147269. -185529. 45.433 12.4293 22.5644 -3.1127 -3.7117 91.5590 26.7417 -0.0300 0. Na(But)2- Na(CH3CH2CH2CO2)2- Na(But)2- Na(1)C(8)H(14)O(4)-(1) ref:G7B 2.Jun.98 -231511. -316875. 69.236 24.6982 52.5272 -14.9010 -4.9504 210.5987 66.1618 0.5806 -1. K(But),AQ KCH3(CH2)2CO2 K(But),AQ K(1)C(4)H(7)O(2) ref:G7 26.Aug.93 -152161. -186227. 58.768 13.9798 26.3520 -4.6040 -3.8683 82.2231 23.4967 -0.0300 0. K(But)2- K(CH3CH2CH2CO2)2- K(But)2- K(1)C(8)H(14)O(4)-(1) ref:G7B 2.Jun.98 -236375. -317708. 85.956 26.3402 56.5369 -16.4778 -5.1161 190.0492 59.8305 0.3272 -1. La(But)+2 LaCH3(CH2)2CO2+2 La(But)+2 La(1)C(4)H(7)O(2)+(2) ref:G7B 2.Jun.98 -252198. -301285. -18.438 7.1755 9.7404 1.9188 -3.1816 96.2547 23.9948 1.3375 2. La(But)2+ La(CH3CH2CH2CO2)2+ La(But)2+ La(1)C(8)H(14)O(4)+(1) ref:G7B 2.Jun.98 -339359. -431571. 16.373 18.2361 36.7475 -8.6968 -4.2980 195.2278 61.7045 0.3041 1. Eu(But)+2 EuCH3(CH2)2CO2+2 Eu(But)+2 Eu(1)C(4)H(7)O(2)+(2) ref:G7B 2.Jun.98 -225716. -276929. -19.856 6.7698 8.7503 2.3069 -3.1406 97.2089 24.2698 1.3552 2. Eu(But)2+ Eu(CH3CH2CH2CO2)2+ Eu(But)2+ Eu(1)C(8)H(14)O(4)+(1) ref:G7B 2.Jun.98 -313068. -407560. 14.439 17.7879 35.6504 -8.2592 -4.2527 197.0574 62.2411 0.3351 1. Gd(But)+2 GdCH3(CH2)2CO2+2 Gd(But)+2 Gd(1)C(4)H(7)O(2)+(2) ref:G7B 2.Jun.98 -246839. -295565. -14.467 6.8808 9.0211 2.2007 -3.1518 97.4167 24.5906 1.2776 2. Gd(But)2+ Gd(CH3CH2CH2CO2)2+ Gd(But)2+ Gd(1)C(8)H(14)O(4)+(1) ref:G7B 2.Jun.98 -334041. -425462. 21.787 17.9029 35.9294 -8.3657 -4.2642 197.8246 62.8670 0.2229 1. Yb(But)+2 YbCH3(CH2)2CO2+2 Yb(But)+2 Yb(1)C(4)H(7)O(2)+(2) ref:G7 26.Aug.93 -241293. -291999. -25.387 6.3100 7.6274 2.7480 -3.0942 98.2368 24.3614 1.4382 2. Yb(But)2+ Yb(CH3CH2CH2CO2)2+ Yb(But)2+ Yb(1)C(8)H(14)O(4)+(1) ref:G7B 2.Jun.98 -328536. -423782. 6.898 17.2830 34.4210 -7.7836 -4.2019 198.6263 62.4199 0.4496 1. Pb(But)+ PbCH3(CH2)2CO2+ Pb(But)+ Pb(1)C(4)H(7)O(2)+(1) ref:G7B 2.Jun.98 -92817. -127561. 47.238 10.1748 17.0643 -0.9612 -3.4843 88.1802 25.9961 -0.1639 1. Pb(But)2,AQ Pb(CH3CH2CH2CO2)2 Pb(But)2,AQ Pb(1)C(8)H(14)O(4) ref:G7B 2.Jun.98 -179077. -254879. 88.982 22.0303 46.0136 -12.3417 -4.6811 202.0867 65.1583 -0.0300 0. Mn(But)+ MnCH3(CH2)2CO2+ Mn(But)+ Mn(1)C(4)H(7)O(2)+(1) ref:G7B 2.Jun.98 -140788. -182038. 17.515 10.0986 16.8770 -0.8847 -3.4766 103.6776 29.9377 0.2873 1. Mn(But)2,AQ Mn(CH3CH2CH2CO2)2 Mn(But)2,AQ Mn(1)C(8)H(14)O(4) ref:G7B 2.Jun.98 -226367. -311410. 50.086 21.7755 45.3895 -12.0924 -4.6553 224.2130 72.8487 -0.0300 0. Ni(But)+ NiCH3(CH2)2CO2+ Ni(But)+ Ni(1)C(4)H(7)O(2)+(1) ref:G7B 2.Jun.98 -97925. -144389. -0.482 8.3767 12.6711 0.7713 -3.3027 96.1758 26.4544 0.5608 1. Ni(But)2,AQ Ni(CH3CH2CH2CO2)2 Ni(But)2,AQ Ni(1)C(8)H(14)O(4) ref:G7B 2.Jun.98 -184117. -276030. 26.534 19.7540 40.4521 -10.1489 -4.4512 204.6596 66.0525 -0.0300 0. Zn(But)+ ZnCH3(CH2)2CO2+ Zn(But)+ Zn(1)C(4)H(7)O(2)+(1) ref:G7B 2.Jun.98 -121815. -167247. 5.790 9.0597 14.3386 0.1167 -3.3717 102.3810 28.9294 0.4615 1. Zn(But)2,AQ Zn(CH3CH2CH2CO2)2 Zn(But)2,AQ Zn(1)C(8)H(14)O(4) ref:G7B 2.Jun.98 -207667. -297971. 34.741 20.5524 42.4038 -10.9205 -4.5319 218.5528 70.8814 -0.0300 0. Fe(But)+ FeCH3(CH2)2CO2+ Fe(But)+ Fe(1)C(4)H(7)O(2)+(1) ref:G7B 2.Jun.98 -108714. -152879. 6.608 9.3758 15.1141 -0.1954 -3.4037 99.8978 28.1044 0.4496 1. Fe(But)2,AQ Fe(CH3CH2CH2CO2)2 Fe(But)2,AQ Fe(1)C(8)H(14)O(4) ref:G7B 2.Jun.98 -194743. -283705. 35.812 20.9091 43.2727 -11.2572 -4.5678 213.9216 69.2718 -0.0300 0. Co(But)+ CoCH3(CH2)2CO2+ Co(But)+ Co(1)C(4)H(7)O(2)+(1) ref:G7B 2.Jun.98 -99984. -144915. 4.699 9.0507 14.3185 0.1200 -3.3708 100.5727 28.2419 0.4799 1. Co(But)2,AQ Co(CH3CH2CH2CO2)2 Co(But)2,AQ Co(1)C(8)H(14)O(4) ref:G7B 2.Jun.98 -186135. -276038. 33.314 20.5354 42.3610 -10.9009 -4.5301 214.6936 69.5400 -0.0300 0. Ca(Pent)+ CaCH3(CH2)3CO2+ Ca(Pent)+ Ca(1)C(5)H(9)O(2)+(1) ref:G7 16.Aug.93 -215129. -263187. 29.605 12.0805 21.7185 -2.7923 -3.6767 134.7595 41.3334 0.1023 1. Ca(Pent)2,AQ Ca(CH3CH2CH2CH2CO2)2 Ca(Pent)2,AQ Ca(1)C(10)H(18)O(4) ref:G7 16.Aug.93 -297634. -396159. 72.407 26.2442 56.3017 -16.3832 -5.1064 304.4798 100.7475 -0.0300 0. Sr(Pent)+ SrCH3(CH2)3CO2+ Sr(Pent)+ Sr(1)C(5)H(9)O(2)+(1) ref:G7 7.Sep.93 -217114. -263755. 37.745 12.1383 21.8541 -2.8337 -3.6823 130.3108 40.1784 -0.0199 1. Sr(Pent)2,AQ Sr(CH3CH2CH2CH2CO2)2 Sr(Pent)2,AQ Sr(1)C(10)H(18)O(4) ref:G7 7.Sep.93 -299073. -395432. 83.059 26.3546 56.5678 -16.4801 -5.1174 297.9963 98.4940 -0.0300 0. Ba(Pent)+ BaCH3(CH2)3CO2+ Ba(Pent)+ Ba(1)C(5)H(9)O(2)+(1) ref:G7 31.Aug.93 -216357. -259492. 51.147 12.8030 23.4822 -3.4843 -3.7497 125.4720 39.1471 -0.2231 1. Ba(Pent)2,AQ Ba(CH3CH2CH2CH2CO2)2 Ba(Pent)2,AQ Ba(1)C(10)H(18)O(4) ref:G7 31.Aug.93 -298289. -389909. 100.598 27.1717 58.5642 -17.2675 -5.1999 292.2076 96.4819 -0.0300 0. Cu(Pent)+ CuCH3(CH2)3CO2+ Cu(Pent)+ Cu(1)C(5)H(9)O(2)+(1) ref:G7 16.Aug.93 -69817. -121221. 16.380 11.1516 19.4472 -1.8933 -3.5828 139.0314 42.1721 0.3041 1. Cu(Pent)2,AQ Cu(CH3CH2CH2CH2CO2)2 Cu(Pent)2,AQ Cu(1)C(10)H(18)O(4) ref:G7 16.Aug.93 -154382. -257470. 55.100 25.1332 53.5902 -15.3200 -4.9943 309.1882 102.3839 -0.0300 0. Na(Pent),AQ NaCH3(CH2)3CO2 Na(Pent),AQ Na(1)C(5)H(9)O(2) ref:G7 16.Aug.93 -145259. -192009. 51.933 14.6201 27.9193 -5.2291 -3.9331 128.8681 39.7094 -0.0300 0. Na(Pent)2- Na(CH3CH2CH2CH2CO2)2- Na(Pent)2- Na(1)C(10)H(18)O(4)-(1) ref:G7 16.Aug.93 -227477. -327929. 83.886 29.2549 63.6519 -19.2699 -5.4103 297.6442 97.1277 0.3584 -1. K(Pent),AQ KCH3(CH2)3CO2 K(Pent),AQ K(1)C(5)H(9)O(2) ref:G7 1.Sep.93 -150151. -193881. 65.268 16.1707 31.7005 -6.7050 -4.0894 119.5323 36.4644 -0.0300 0. K(Pent)2- K(CH3CH2CH2CH2CO2)2- K(Pent)2- K(1)C(10)H(18)O(4)-(1) ref:G7 1.Sep.93 -232342. -328765. 100.606 30.8965 67.6627 -20.8507 -5.5761 277.0852 90.7965 0.1041 -1. La(Pent)+2 LaCH3(CH2)3CO2+2 La(Pent)+2 La(1)C(5)H(9)O(2)+(2) ref:G7 1.Sep.93 -250188. -307073. -11.938 9.3322 15.0037 -0.1439 -3.3992 132.6336 36.9625 1.2366 2. La(Pent)2+ La(CH3CH2CH2CH2CO2)2+ La(Pent)2+ La(1)C(10)H(18)O(4)+(1) ref:G7 1.Sep.93 -335325. -442418. 31.735 22.7893 47.8627 -13.0596 -4.7575 282.1786 92.6705 0.0717 1. Eu(Pent)+2 EuCH3(CH2)3CO2+2 Eu(Pent)+2 Eu(1)C(5)H(9)O(2)+(2) ref:G7 1.Sep.93 -223706. -282516. -13.356 8.9288 14.0201 0.2395 -3.3585 133.6500 37.2375 1.2610 2. Eu(Pent)2+ Eu(CH3CH2CH2CH2CO2)2+ Eu(Pent)2+ Eu(1)C(10)H(18)O(4)+(1) ref:G7 1.Sep.93 -309035. -418206. 29.802 22.3402 46.7679 -12.6335 -4.7123 283.9817 93.2071 0.0999 1. U(Pent)+2 UCH3(CH2)3CO2+2 U(Pent)+2 U(1)C(5)H(9)O(2)+(2) ref:G7 31.Aug.93 -200147. -254046. -3.570 9.3061 14 .9410 -0.1209 -3.3966 131.9035 37.1000 1.1144 2. Eu(Pent)+ EuCH3(CH2)3CO2+ Eu(Pent)+ Eu(1)C(5)H(9)O(2)+(1) ref:G7 31.Aug.93 -211714. -257888. 44.739 14.4215 27.4350 -5.0392 -3.9131 150.5000 47.5345 -0.1257 1. Gd(Pent)+2 GdCH3(CH2)3CO2+2 Gd(Pent)+2 Gd(1)C(5)H(9)O(2)+(2) ref:G7 16.Aug.93 -244829. -301364. -7.967 9.0391 14.2927 0.1259 -3.3698 133.8403 37.5583 1.1815 2. Gd(Pent)2+ Gd(CH3CH2CH2CH2CO2)2+ Gd(Pent)2+ Gd(1)C(10)H(18)O(4)+(1) ref:G7 16.Aug.93 -330007. -436320. 37.150 22.4554 47.0464 -12.7369 -4.7238 284.7556 93.8330 -0.0116 1. Yb(Pent)+2 YbCH3(CH2)3CO2+2 Yb(Pent)+2 Yb(1)C(5)H(9)O(2)+(2) ref:G7 7.Sep.93 -239283. -298479. -18.887 8.4697 12.9016 0.6745 -3.3123 134.7001 37.3291 1.3464 2. Yb(Pent)2+ Yb(CH3CH2CH2CH2CO2)2+ Yb(Pent)2+ Yb(1)C(10)H(18)O(4)+(1) ref:G7 7.Sep.93 -324503. -434659. 22.260 21.8358 45.5373 -12.1516 -4.6614 285.5660 93.3859 0.2160 1. Mg(Pent)+ MgCH3(CH2)3CO2+1 Mg(Pent)+ Mg(1)C(5)H(9)O(2)+(1) ref:G7 7.Sep.93 -191528. -246880. 3.018 11.6846 20.7465 -2.3979 -3.6366 141.3617 42.3371 0.5055 1. Mg(Pent)2,AQ Mg(CH3CH2CH2CH2CO2)2 Mg(Pent)2,AQ Mg(1)C(10)H(18)O(4) ref:G7 7.Sep.93 -274046. -382313. 37.615 25.6513 54.8536 -15.8129 -5.0465 310.1143 102.7059 -0.0300 0. Pb(Pent)+ PbCH3(CH2)3CO2+ Pb(Pent)+ Pb(1)C(5)H(9)O(2)+(1) ref:G7 7.Sep.93 -90793. -133322. 53.738 12.3324 22.3315 -3.0281 -3.7021 124.5859 38.9638 -0.2620 1. Pb(Pent)2,AQ Pb(CH3CH2CH2CH2CO2)2 Pb(Pent)2,AQ Pb(1)C(10)H(18)O(4) ref:G7 7.Sep.93 -175016. -265793. 103.988 26.6621 57.3222 -16.7845 -5.1486 291.1785 96.1242 -0.0300 0. Co(Pent)+ CoCH3(CH2)3CO2+ Co(Pent)+ Co(1)C(5)H(9)O(2)+(1) ref:G7 31.Aug.93 -97933. -150673. 11.199 11.2090 19.5901 -1.9551 -3.5888 136.9956 41.2096 0.3837 1. Co(Pent)2,AQ Co(CH3CH2CH2CH2CO2)2 Co(Pent)2,AQ Co(1)C(10)H(18)O(4) ref:G7 31.Aug.93 -182034. -286935. 48.320 25.1672 53.6696 -15.3437 -4.9976 303.7853 100.5060 -0.0300 0. Ni(Pent)+ NiCH3(CH2)3CO2+ Ni(Pent)+ Ni(1)C(5)H(9)O(2)+(1) ref:G7 7.Sep.93 -95874. -150126. 6.018 10.5339 17.9393 -1.3007 -3.5205 132.5696 39.4221 0.4615 1. Ni(Pent)2,AQ Ni(CH3CH2CH2CH2CO2)2 Ni(Pent)2,AQ Ni(1)C(10)H(18)O(4) ref:G7 7.Sep.93 -180002. -286892. 41.540 24.3858 51.7607 -14.5917 -4.9187 293.7512 97.0185 -0.0300 0. Zn(Pent)+ ZnCH3(CH2)3CO2+ Zn(Pent)+ Zn(1)C(5)H(9)O(2)+(1) ref:G7 7.Sep.93 -119683. -172896. 12.290 11.2174 19.6055 -1.9494 -3.5894 138.7888 41.8971 0.3636 1. Zn(Pent)2,AQ Zn(CH3CH2CH2CH2CO2)2 Zn(Pent)2,AQ Zn(1)C(10)H(18)O(4) ref:G7 7.Sep.93 -203415. -308690. 49.747 25.1842 53.7125 -15.3636 -4.9994 307.6444 101.8474 -0.0300 0. Cd(Pent)+ CdCH3(CH2)3CO2+ Cd(Pent)+ Cd(1)C(5)H(9)O(2)+(1) ref:G7 31.Aug.93 -103384. -153764. 24.288 12.4829 22.6985 -3.1719 -3.7173 140.8184 43.1804 0.1832 1. Cd(Pent)2,AQ Cd(CH3CH2CH2CH2CO2)2 Cd(Pent)2,AQ Cd(1)C(10)H(18)O(4) ref:G7 31.Aug.93 -187389. -288726. 65.449 26.6621 57.3222 -16.7845 -5.1486 314.8482 104.3513 -0.0300 0. Fe(Pent)+ FeCH3(CH2)3CO2+ Fe(Pent)+ Fe(1)C(5)H(9)O(2)+(1) ref:G7B 2.Jun.98 -106635. -158584. 13.108 11.5343 20.3852 -2.2687 -3.6216 136.3259 41.0721 0.3539 1. Fe(Pent)2,AQ Fe(CH3CH2CH2CH2CO2)2 Fe(Pent)2,AQ Fe(1)C(10)H(18)O(4) ref:G7 16.Aug.93 -190586. -293990. 50.8 25.5409 54.5813 -15.7000 -5.0353 303.0133 100.2378 -0.0300 0. Mn(Pent)+ MnCH3(CH2)3CO2+ Mn(Pent)+ Mn(1)C(5)H(9)O(2)+(1) ref:G7 9.Sep.93 -138601. -187646. 24.015 12.2563 22.1440 -2.9511 -3.6943 140.0855 42.9054 0.1895 1. Mn(Pent)2,AQ Mn(CH3CH2CH2CH2CO2)2 Mn(Pent)2,AQ Mn(1)C(10)H(18)O(4) ref:G7 9.Sep.93 -222006. -322033. 65.092 26.4073 56.6981 -16.5352 -5.1228 313.3047 103.8147 -0.0300 0. NaSO4- NaSO4- NaSO4- Na(1)S(1)O(4)-(1) ref:G13A 28.NOV.94 -241476. -273733. 25.46 6.4638 8.0045 2.5970 -3.1098 14.4928 -4.1182 1.2422 -1. MgSO4,AQ MgSO4 MgSO4(AQ) Mg(1)S(1)O(4)+(0) ref:G13A 28.NOV.94 -289477. -327367. -13.5 1.9369 -3.0547 6.9554 -2.6526 -6.8390 -7.4589 -0.0300 0. HCl,AQ HCl HCl(AQ) H(1)Cl(1) ref:G13A 30.JUL.96 -30410. -42054. 3.2 1.2547 -4.7177 7.6043 -2.5840 16.7134 2.8727 -0.7000 0. MgCO3,AQ MgCO3(0) MgCO3(AQ) Mg(1)C(1)O(3)+(0) ref:5 1.Oct.97 -238760. -270570. -24. -0.7355 -9.5745 9.5062 -2.3831 -10.2416 -8.6159 -0.038 0. CaCO3,AQ CaCO3(0) CaCO3(AQ) Ca(1)C(1)O(3)+(0) ref:5 2.Oct.97 -262850. -287390. 2.5 -0.3907 -8.7325 9.1753 -2.4179 -11.5309 -9.0641 -0.038 0. SrCO3,AQ SrCO3(0) SrCO3(AQ) Sr(1)C(1)O(3)+(0) ref:5 2.Oct.97 -264860. -288620. 8.5 -0.3332 -8.5922 9.1201 -2.4237 -12.9961 -9.5733 -0.038 0. BaCO3,AQ BaCO3(0) BaCO3(AQ) Ba(1)C(1)O(3)+(0) ref:5 2.Oct.97 -263830. -285850. 16.0 0.1361 -7.4461 8.6697 -2.4711 -14.344 -10.0418 -0.038 0. BeCl+ BeCl(1) BeCl+ Be(1)Cl(1)+(1) ref:5 2.Oct.97 -115316. -124998. 92.31 1.1974 -4.8548 7.6512 -2.5783 16.6475 3.3197 -0.8467 1. BeCl2,AQ BeCl2(0) BeCl2(AQ) Be(1)Cl(2)+(0) ref:5 2.Oct.97 -145521. -156432. 130.44 5.0297 4.5026 3.9733 -2.9651 39.653 8.7262 -0.038 0. FeCl+2 FeCl(2) FeCl+2 Fe(1)Cl(1)+(2) ref:5 2.Oct.97 -37518. -50820. -42.74 -0.7164 -9.5277 9.4878 -2.3851 23.8149 -2.3482 1.7013 2. CoCl+ CoCl(1) CoCl+ Co(1)Cl(1)+(1) ref:5 2.Oct.97 -45157. -53965. -11.27 1.8028 -3.3766 7.0702 -2.6394 22.7656 0.4323 0.7191 1. CuCl,AQ_orig CuCl(0) CuCl(AQ) Cu(1)Cl(1)+(0) ref:5 2.Oct.97 -22608. -26338. 22.06 4.1084 2.253 4.8575 -2.8721 17.3292 0.967 -0.038 0. CuCl2-_orig CuCl2(-1) CuCl2- Cu(1)Cl(2)-(1) ref:5 2.Oct.97 -58038. -72903. 26.96 8.3943 12.7182 0.7442 -3.3047 36.7555 3.6846 1.2219 -1 CuCl3-2_orig CuCl3(-2) CuCl3-2 Cu(1)Cl(3)-(2) ref:5 2.Oct.97 -89963. -118524. 23.28 13.2482 24.57 -3.914 -3.7947 63.9808 7.9089 2.8579 -2. CuCl,AQ CuCl(0) CuCl(aq) Cu(1)Cl(1)+(0) ref:Liu05 11.Jun.07 -25068. -25506. 33.098 4.108 2.2518 4.5698 -2.8721 6.5717 -2.6885 -0.0380 0. CuCl2- CuCl2(-1) CuCl2- Cu(1)Cl(2)-(1) ref:Liu05 11.Jun.07 -58241. -65648. 51.978 8.266 12.4071 0.2096 -3.2919 -3.1775 -8.6389 0.8423 -1. CuCl3-2 CuCl3(-2) CuCl3-2 Cu(1)Cl(3)-(2) ref:Liu05 11.Jun.07 -88671. -108868. 51.330 13.105 24.2264 -4.8649 -3.7806 -0.0094 -12.4404 2.4346 -2. CuCl4-3 CuCl4(-3) CuCl4-3 Cu(1)Cl(4)-(3) ref:Liu05 11.Jun.07 -117363. -155689. 32.778 18.6 37.6459 -10.626 -4.3353 56.2186 0.6393 4.3136 -2. CuCl,aq_Ak CuCl(0) CuCl(aq) Cu(1)Cl(1)+(0) ref:Akinfiev 11.Jun.07 -24594. -25824. 30.455 4.404 2.9716 4.5820 -2.9018 1.1950 -4.7626 -0.0000 0. CuCl2-_Ak CuCl2(-1) CuCl2- Cu(1)Cl(2)-(1) ref:Akinfiev 11.Jun.07 -57610. -63330. 55.669 6.8266 8.8868 2.2570 -3.1464 1.2981 -7.2932 0.8094 -1. CuCl+ CuCl(1) CuCl+ Cu(1)Cl(1)+(1) ref:5 2.Oct.97 -16250. -23847. -6.51 1.748 -3.5103 7.1228 -2.6338 29.356 2.953 0.6472 1. CuCl2,AQ CuCl2(0) CuCl2(AQ) Cu(1)Cl(2)+(0) ref:5 2.Oct.97 -46142. -64160. 0.78 5.0806 4.627 3.9244 -2.9702 37.5948 8.0108 -0.038 0. CuCl3- CuCl3(-1) CuCl3- Cu(1)Cl(3)-(1) ref:5 2.Oct.97 -75338. -106846. -2.21 9.6259 15.7252 -0.4377 -3.429 63.8881 11.7108 1.6605 -1. CuCl4-2 CuCl4(-2) CuCl4-2 Cu(1)Cl(4)-(2) ref:5 2.Oct.97 -103579. -152534. -18.48 14.6696 28.0407 -5.2782 -3.9382 87.5037 14.0532 3.4923 -2. CdCl+ CdCl(1) CdCl+ Cd(1)Cl(1)+(1) ref:5 2.Oct.97 -52627. -59392. 0.75 3.099 -0.2116 5.8262 -2.7702 26.6485 2.3572 0.5394 1. CdCl2,AQ CdCl2(0) CdCl2(AQ) Cd(1)Cl(2)+(0) ref:5 2.Oct.97 -84851. -101362. 10.31 6.6265 8.4016 2.4408 -3.1263 34.2501 6.8482 -0.038 0. CdCl3- CdCl3(-1) CdCl3- Cd(1)Cl(3)-(1) ref:5 2.Oct.97 -115971. -144916. 10.86 11.2826 19.7705 -2.0276 -3.5963 56.4451 9.7459 1.4662 -1. CdCl4-2 CdCl4(-2) CdCl4-2 Cd(1)Cl(4)-(2) ref:5 2.Oct.97 -146081. -190793. 0.23 16.4919 32.4903 -7.0271 -4.1221 76.2256 11.0502 3.206 -2. TlCl,AQ TlCl(0) TlCl(AQ) Tl(1)Cl(1)+(0) ref:5 2.Oct.97 -39815. -37819. 48.69 8.1182 12.044 1.0092 -3.2768 -6.2744 -7.237 -0.038 0. TlCl+2 TlCl(2) TlCl+2 Tl(1)Cl(1)+(2) ref:5 2.Oct.97 9375. 671. -18.52 -0.2904 -8.4877 9.079 -2.4281 13.4748 -4.7774 1.3375 0. AuCl,AQ AuCl(0) AuCl(AQ) Au(1)Cl(1)+(0) ref:5 2.Oct.97 -3184. -2140. 41.47 7.0357 9.4008 2.0481 -3.1676 0.0551 -5.0371 -0.038 0. AuCl2- AuCl2(-1) AuCl2- Au(1)Cl(2)-(1) ref:5 2.Oct.97 -36781. -44725. 53.6 11.5192 20.3482 -2.2547 -3.6201 -0.6764 -8.03 0.8173 -1. AuCl3-2 AuCl3(-2) AuCl3-2 Au(1)Cl(3)-(2) ref:5 2.Oct.97 -67811. -86023. 61.39 16.6878 32.9687 -7.2151 -4.1419 1.7155 -11.891 2.2827 -2. AuCl4- AuCl4(-1) AuCl4- Au(1)Cl(4)-(1) ref:5 2.Oct.97 -35332. 23573. -32.72 -0.5361 -9.0876 9.3148 -2.4033 19.7251 -3.3107 1.5579 -1. HgCl+ HgCl(1) HgCl+ Hg(1)Cl(1)+(1) ref:5 7.Oct.97 -2155. -7374. 11.67 2.4941 -1.6886 6.4067 -2.7091 32.5048 4.9238 0.3735 1. HgCl2,AQ HgCl2(0) HgCl2(AQ) Hg(1)Cl(2)+(0) ref:5 7.Oct.97 -42838. -56787. 24.64 6.015 6.9084 3.0277 -3.0645 48.6478 11.856 -0.038 0. HgCl3- HgCl3(-1) HgCl3- Hg(1)Cl(3)-(1) ref:5 7.Oct.97 -74504. -99299. 30.51 10.5003 17.8603 -1.2769 -3.5173 78.0458 18.2101 1.1676 -1. HgCl4-2 HgCl4(-2) HgCl4-2 Hg(1)Cl(4)-(2) ref:5 7.Oct.97 -106988. -145023. 28.36 15.5903 30.2888 -6.1618 -4.0311 109.561 23.986 2.7846 -2. InCl+2 InCl(2) InCl+2 In(1)Cl(1)+(2) ref:5 7.Oct.97 -59226. -66209. -38.8 -0.6441 -9.3513 9.4185 -2.3924 22.2354 -2.7149 1.6444 2. BeF+ BeF(1) BeF+ Be(1)F(1)+(1) ref:5 7.Oct.97 -158493. -177322. 59.2 -1.2603 -10.856 10.0098 -2.3302 23.774 4.1893 -0.3447 1. BeF2,AQ BeF2(0) BeF2(AQ) Be(1)F(2)+(0) ref:5 7.Oct.97 -231386. -258350. 71.72 -0.525 -9.0604 9.3042 -2.4044 45.6271 10.8026 -0.038 0. BeF3-1 BeF3(-1) BeF3-1 Be(1)F(3)-(1) ref:5 7.Oct.97 -302532. -331512. 104.78 0.2052 -7.2776 8.6034 -2.4781 62.8555 16.5406 0.0401 -1. BeF4-2 BeF4(-2) BeF4-2 Be(1)F(4)-(2) ref:5 7.Oct.97 -370691. -386096. 190.12 1.0882 -5.1214 7.756 -2.5672 79.5432 21.4033 0.3329 -2. MnF+ MnF(1) MnF+ Mn(1)F(1)+(1) ref:5 9.Oct.97 -123641. -132454. -13.3 0.3136 -7.0128 8.4994 -2.489 30.284 2.9518 0.7483 1. FeF+ FeF(1) FeF+ Fe(1)F(1)+(1) ref:5 9.Oct.97 -91157. -101452. -20.92 -0.4234 -8.8124 9.2067 -2.4146 26.3785 1.2102 0.8683 1. FeF+2 FeF(2) FeF+2 Fe(1)F(1)+(2) ref:5 9.Oct.97 -79645. -87141. -25.7 -3.4294 -16.152 12.0915 -2.1112 23.9805 -1.4787 1.4477 2. CoF+ CoF(1) CoF+ Co(1)F(1)+(1) ref:5 9.Oct.97 -81732. -93191. -22.6 -0.7659 -9.6486 9.5354 -2.3801 26.8657 -1.3018 0.8926 1. NiF+ NiF(1) NiF+ Ni(1)F(1)+(1) ref:5 9.Oct.97 -79768. -92315. -26.36 -1.4455 -11.308 10.1875 -2.3115 22.317 -0.4857 0.957 1. CuF+ CuF(1) CuF+ Cu(1)F(1)+(1) ref:5 9.Oct.97 -53739. -64285. -18.84 -0.8164 -9.7719 9.5838 -2.375 33.5733 3.8226 0.8334 1. ZnF+ ZnF(1) ZnF+ Zn(1)F(1)+(1) ref:5 9.Oct.97 -104109. -116131. -21.81 -0.7395 -9.5843 9.5101 -2.3827 28.5991 1.9435 0.8803 1. AgF,AQ AgF(0) AgF(AQ) Ag(1)F(1)+(0) ref:5 9.Oct.97 -49459. -54722. 16.74 2.5788 -1.4818 6.3255 -2.7177 12.1829 -0.8218 -0.038 0. CdF+ CdF(1) CdF+ Cd(1)F(1)+(1) ref:5 9.Oct.97 -87373. -97544. -13.11 0.5423 -6.4544 8.2799 -2.5121 31.0752 3.2268 0.7483 1. CdF2,AQ CdF2(0) CdF2(AQ) Cd(1)F(2)+(0) ref:5 9.Oct.97 -155164. -180369. -23.72 1.0718 -5.1614 7.7717 -2.5656 40.2242 8.9247 -0.038 0. BaF+ BaF(1) BaF+ Ba(1)F(1)+(1) ref:5 9.Oct.97 -201807. -206931. 6.38 0.916 -5.542 7.9213 -2.5498 16.7731 -0.8065 0.4555 1. TlF,AQ TlF(0) TlF(AQ) Tl(1)F(1)+(0) ref:5 9.Oct.97 -75216. -77118. 33.18 5.4909 5.6287 3.5307 -3.0116 -3.7726 -6.3675 -0.038 0. HgF+ HgF(1) HgF+ Hg(1)F(1)+(1) ref:5 9.Oct.97 -30204. -39512. -4.48 -0.0492 -7.8986 8.8475 -2.4524 37.2987 5.7934 0.6223 1. InF+2 InF(2) InF+2 In(1)F(1)+(2) ref:5 9.Oct.97 -97016. -98718. -23.53 -3.3507 -15.96 12.016 -2.1192 22.5771 -1.8453 1.4099 2. PbF+ PbF(1) PbF+ Pb(1)F(1)+(1) ref:5 9.Oct.97 -75860. -80591. 8.26 0.4488 -6.6827 8.3696 -2.5027 15.9794 -0.9898 0.4266 1. PbF2,AQ PbF2(0) PbF2(AQ) Pb(1)F(2)+(0) ref:5 9.Oct.97 -145056. -162783. 4.48 1.0888 -5.1199 7.7554 -2.5673 16.5543 0.6976 -0.038 0. Ag(HS)2-_orig Ag(HS)2(-1) Ag(HS)2- Ag(1)H(2)S(2)-(1) ref:5 9.Oct.97 0. -8200. 44.68 10.3654 17.5311 -1.1475 -3.5037 37.2753 4.7273 0.9527 -1. Ag(HS),AQ Ag(HS)(0) Ag(HS)(aq) Ag(1)H(1)S(1)+(0) ref:Bess 16.Jun.05 963.0 -1635.7 23.60 5.6794 6.0863 3.3756 -3.0306 1.2545 -4.6343 -0.038 0. Ag(HS)2- Ag(HS)2(-) Ag(HS)2- Ag(1)H(2)S(2)-(1) ref:Bess 16.Jun.05 -100.0 -8726.0 43.29 10.986 19.0434 -1.7018 -3.5663 25.0312 0.4296 0.9662 -1. Au(HS)2- Au(HS)2(-1) Au(HS)2- Au(1)H(2)S(2)-(1) ref:5 9.Oct.97 2429. -2509. 56.77 12.342 22.3572 -3.0443 -3.7032 16.8038 -1.8007 0.7693 -1. Pb(HS)2,AQ Pb(HS)2(0) Pb(HS)2(AQ) Pb(1)H(2)S(2)+(0) ref:5 9.Oct.97 -20058. -22851. 52.56 7.4825 10.4917 1.6193 -3.2127 28.5025 4.8505 -0.038 0. Pb(HS)3- Pb(HS)3(-1) Pb(HS)3- Pb(1)H(3)S(3)-(1) ref:5 9.Oct.97 -18971. -28704. 68.08 12.3397 22.3518 -3.0422 -3.703 39.6902 6.7025 0.598 -1. Mg(HSiO3)+ Mg(HSiO3)(1) Mg(HSiO3)+ Mg(1)H(1)Si(1)O(3)+(1) ref:5 9.Oct.97 -353025. -385700. -23.78 0.6289 -6.2428 8.1967 -2.5209 36.7882 4.6702 0.9177 1. Ca(HSiO3)+ Ca(HSiO3)(1) Ca(HSiO3)+ Ca(1)H(1)Si(1)O(3)+(1) ref:5 9.Oct.97 -376299. -403109. -1.99 1.0647 -5.1787 7.7785 -2.5649 30.8048 3.6619 0.5831 1. PCE,AQ C2Cl4 Perchloroeth(AQ C(2)Cl(4)+(0) ref: G14 15.Oc 7483. -12995. 40.70 14.1804 26.8436 -4.8012 -3.8886 98.5546 29.5547 -0.15 0. TCE,AQ C2HCl3 Trichloroeth(AQ C(2)H(1)Cl(3)+(0) ref: G14 15.Oct.9 6061. -11852. 38.26 12.8394 23.5678 -3.5109 -3.7532 83.9031 24.4649 -0.15 0. 1,1-DCE,AQ C2H2Cl2 1,1-DCE(AQ) C(2)H(2)Cl(2)+(0) ref: G14 15.Oct.9 7726. -6739. 38.78 11.0468 19.1914 -1.7922 -3.5723 60.4606 16.3169 -0.15 0. cis-1,2-DCE,AQ C2H2Cl2 cis-1,2-DCE(AQ) C(2)H(2)Cl(2)+(0) ref: G14 15.Oc 6620. -7712. 39.23 11.0468 19.1914 -1.7922 -3.5723 60.4606 16.3169 -0.15 0. trans-1,2-DCE,AQ C2H2Cl2 trans-1,2-DCE(A C(2)H(2)Cl(2)+(0) ref: G14 15.Oc 7700. -6950. 38.16 11.0468 19.1914 -1.7922 -3.5723 60.4606 16.3169 -0.15 0. VC,AQ C2H3Cl Vinylchloride(A C(2)H(3)Cl(1)+(0) ref: G14 15.Oc 12785. -4551. 18.11 9.3500 15.0507 -0.1702 -3.4011 31.1575 6.1319 -0.15 0. Pb(Ox),AQ Pb(Ox) Pb(Ox),AQ Pb(1)C(2)O(4)+(0) ref:G16 03.Dec.97 -174301. -197051. 40.0 0.0 0.0 0.0 0.0 0.4283 -4.2567 -0.2657 0. Mn(Ox),AQ Mn(Ox) Mn(Ox),AQ Mn(1)C(2)O(4)+(0) ref:G16 03.Dec.97 -221617. -248588. 18.0 0.0 0.0 0.0 0.0 8.2538 -2.5049 0.0674 0. Co(Ox),AQ Co(Ox) Co(Ox),AQ Co(1)C(2)O(4)+(0) ref:G16 03.Dec.97 -180636. -210448. 8.0 0.0 0.0 0.0 0.0 7.3514 -3.2586 0.2188 0. Ni(Ox),AQ Ni(Ox) Ni(Ox),AQ Ni(1)C(2)O(4)+(0) ref:G16 03.Dec.97 -179041. -209437. 6.0 0.0 0.0 0.0 0.0 5.3189 -4.0530 0.2491 0. Fe(Ox)+,AQ Fe(Ox)+ Fe(Ox)+,AQ Fe(1)C(2)O(4)+(1) ref:G16 03.Dec.97 -177951. -209886. -15.4 0.0 0.0 0.0 0.0 -3.2911 -8.6159 0.7895 1. Cu(Ox),AQ Cu(Ox) Cu(Ox),AQ Cu(1)C(2)O(4)+(0) ref:G16 03.Dec.97 -153871. -181609. 15.7 0.0 0.0 0.0 0.0 7.6072 -2.8308 0.1022 0. Na(Ox)-,AQ Na(Ox)- Na(Ox)-,AQ Na(1)C(2)O(4)-(1) ref:G16 03.Dec.97 -224864. -253467. 32.8 0.0 0.0 0.0 0.0 24.8870 0.1839 1.1317 -1. K(Ox)-,AQ K(Ox)- K(Ox)-,AQ K(1)C(2)O(4)-(1) ref:G16 13.Dec.97 -229702. -256488. 42.1 0.0 0.0 0.0 0.0 19.5508 -1.2623 0.9911 -1. NH4(Ox)-,AQ NH4(Ox)- NH4(Ox)-,AQ N(1)H(4)C(2)O(4)-(1) ref:G16 03.Dec.97 -181345. -228018. 45.3 0.0 0.0 0.0 0.0 27.3509 1.5894 0.9427 -1. Mg(Ox),AQ Mg(Ox) Mg(Ox),AQ Mg(1)C(2)O(4)+(0) ref:G16 03.Dec.97 -274285. -305250. 4.8 0.0 0.0 0.0 0.0 9.2216 -2.7493 0.2673 0. Ca(Ox),AQ Ca(Ox) Ca(Ox),AQ Ca(1)C(2)O(4)+(0) ref:G16 03.Dec.97 -297573. -325221. 18.0 0.0 0.0 0.0 0.0 6.2612 -3.1975 0.0674 0. Zn(Ox),AQ Zn(Ox) Zn(Ox),AQ Zn(1)C(2)O(4)+(0) ref:G16 03.Dec.97 -202918. -233143. 9.4 0.0 0.0 0.0 0.0 8.0532 -2.9530 0.1976 0. Cd(Ox),AQ Cd(Ox) Cd(Ox),AQ Cd(1)C(2)O(4)+(0) ref:G16 03.Dec.97 -185118. -214285. 15.4 0.0 0.0 0.0 0.0 8.9346 -2.3827 0.1068 0. Al(Ox)+,AQ Al(Ox)+ Al(Ox)+,AQ Al(1)C(2)O(4)+(1) ref:G16 03.Dec.97 -286615. -321675. -25.6 0.0 0.0 0.0 0.0 -1.0645 -8.2900 0.9437 1. Yb(Ox)+,AQ Yb(Ox)+ Yb(Ox)+,AQ Yb(1)C(2)O(4)+(1) ref:G16 03.Dec.97 -324061. -357155. -11.5 0.0 0.0 0.0 0.0 -5.1477 -9.0844 0.7287 1. Ce(Ox)+,AQ Ce(Ox)+ Ce(Ox)+,AQ Ce(1)C(2)O(4)+(1) ref:G16 03.Dec.97 -331596. -363955. -6.1 0.0 0.0 0.0 0.0 -7.1182 -9.5325 0.6472 1. Nd(Ox)+,AQ Nd(Ox)+ Nd(Ox)+,AQ Nd(1)C(2)O(4)+(1) ref:G16 03.Dec.97 -331538. -363962. -6.5 0.0 0.0 0.0 0.0 -9.8139 -10.4696 0.6472 1. Eu(Ox)+,AQ Eu(Ox)+ Eu(Ox)+,AQ Eu(1)C(2)O(4)+(1) ref:G16 03.Dec.97 -307296. -340878. -8.8 0.0 0.0 0.0 0.0 -5.6544 -9.1251 0.6821 1. Gd(Ox)+,AQ Gd(Ox)+ Gd(Ox)+,AQ Gd(1)C(2)O(4)+(1) ref:G16 03.Dec.97 -329265. -361383. -6.3 0.0 0.0 0.0 0.0 -5.5358 -8.9825 0.6472 1. Ru(Ox)+,AQ Ru(Ox)+ Ru(Ox)+,AQ Ru(1)C(2)O(4)+(1) ref:G16 03.Dec.97 -126482. -160160. -20.9 0.0 0.0 0.0 0.0 4.1659 -6.2530 0.8683 1. Pa(Ox)+2,AQ Pa(Ox)+2 Pa(Ox)+2,AQ Pa(1)C(2)O(4)+(2) ref:G16 03.Dec.97 -320000. -356365. -40.0 0.0 0.0 0.0 0.0 24.5556 -1.4864 1.6668 2. Th(Ox)+2,AQ Th(Ox)+2 Th(Ox)+2,AQ Th(1)C(2)O(4)+(2) ref:G16 03.Dec.97 -344064. -380981. -41.5 0.0 0.0 0.0 0.0 24.3366 -1.6290 1.6897 2. U(Ox)+2,AQ U(Ox)+2 U(Ox)+2,AQ U(1)C(2)O(4)+(2) ref:G16 03.Dec.97 -299498. -335905. -40.5 0.0 0.0 0.0 0.0 24.3797 -1.5475 1.6668 2. Np(Ox)+2,AQ Np(Ox)+2 Np(Ox)+2,AQ Np(1)C(2)O(4)+(2) ref:G16 03.Dec.97 -290553. -324602. -41.8 0.0 0.0 0.0 0.0 24.2778 -1.6493 1.6897 2. PuO2(Ox),AQ PuO2(Ox) PuO2(Ox),AQ Pu(1)O(6)C(2)+(0) ref:G16 03.Dec.97 -347049. -388846. 12.9 0.0 0.0 0.0 0.0 16.6355 0.1839 0.1446 0. UO2(Ox),AQ UO2(Ox) UO2(Ox),AQ U(1)O(6)C(2)+(0) ref:G16 03.Dec.97 -394838. -439747. 11.2 0.0 0.0 0.0 0.0 16.8508 0.1839 0.1704 0. Am(Ox)+,AQ Am(Ox)+ Am(Ox)+,AQ Am(1)C(2)O(4)+(1) ref:G16 11.Dec.97 -313961. -342092. -6.1 0.0 0.0 0.0 0.0 -5.3600 -8.9214 0.6472 1. Cm(Ox)+,AQ Cm(Ox)+ Cm(Ox)+,AQ Cm(1)C(2)O(4)+(1) ref:G16 11.Dec.97 -311797. -340287. -6.3 0.0 0.0 0.0 0.0 -5.3012 -8.9011 0.6472 1. Y(Ox)+,AQ Y(Ox)+ Y(Ox)+,AQ Y(1)C(2)O(4)+(1) ref:G16 11.Dec.97 -333796. -366418. -13.6 0.0 0.0 0.0 0.0 -4.4891 -8.9418 0.7584 1. Be(Ox),AQ Be(Ox) Be(Ox),AQ Be(1)C(2)O(4)+(0) ref:G16 12.Dec.97 -258486. -287616. 5.4 0.0 0.0 0.0 0.0 11.4898 -1.9345 0.2582 0. Hg(Ox),AQ Hg(Ox) Hg(Ox),AQ Hg(1)C(2)O(4)+(0) ref:G16 12.Dec.97 -135958. -165076. 21.3 0.0 0.0 0.0 0.0 11.5281 -1.2216 0.0174 0. Cr(Ox),AQ Cr(Ox) Cr(Ox),AQ Cr(1)C(2)O(4)+(0) ref:G16 12.Dec.97 -206872. -235418. 10.7 0.0 0.0 0.0 0.0 7.3612 -3.1364 0.1780 0. Fe(Ox),AQ Fe(Ox) Fe(Ox),AQ Fe(1)C(2)O(4)+(0) ref:G16 12.Dec.97 -187214. -216233. 10.0 0.0 0.0 0.0 0.0 6.9223 -3.3197 0.1886 0. La(Ox)+,AQ La(Ox)+ La(Ox)+,AQ La(1)C(2)O(4)+(1) ref:G16 12.Dec.97 -332059. -363948. -8.2 0.0 0.0 0.0 0.0 -6.0804 -9.2474 0.6732 1. Tb(Ox)+,AQ Tb(Ox)+ Tb(Ox)+,AQ Tb(1)C(2)O(4)+(1) ref:G16 12.Dec.97 -330479. -363938. -9.5 0.0 0.0 0.0 0.0 -5.1099 -8.9622 0.6911 1. Er(Ox)+,AQ Er(Ox)+ Er(Ox)+,AQ Er(1)C(2)O(4)+(1) ref:G16 12.Dec.97 -326540. -360868. -12.4 0.0 0.0 0.0 0.0 -3.7182 -8.6159 0.7384 1. Lu(Ox)+,AQ Lu(Ox)+ Lu(Ox)+,AQ Lu(1)C(2)O(4)+(1) ref:G16 12.Dec.97 -330652. -364368. -15.7 0.0 0.0 0.0 0.0 -2.0604 -8.1881 0.7895 1. Cr(Ox)+,AQ Cr(Ox)+ Cr(Ox)+,AQ Cr(1)C(2)O(4)+(1) ref:G16 12.Dec.97 -219365. -253960. -25.2 0.0 0.0 0.0 0.0 4.6276 -6.2733 0.9306 1. Ga(Ox)+,AQ Ga(Ox)+,AQ Ga(Ox)+,AQ Ga(1)C(2)O(4)+(1) ref:G16 12.Dec.97 -213318. -249539. -26.5 0.0 0.0 0.0 0.0 2.7393 -7.0067 0.9570 1. Sc(Ox)+,AQ Sc(Ox)+ Sc(Ox)+,AQ Sc(1)C(2)O(4)+(1) ref:G16 12.Dec.97 -308354. -340481. -14.3 0.0 0.0 0.0 0.0 -4.2279 -8.8807 0.7686 1. In(Ox)+,AQ In(Ox)+,AQ In(Ox)+,AQ In(1)C(2)O(4)+(1) ref:G16 12.Dec.97 -194447. -228632. -15.6 0.0 0.0 0.0 0.0 7.7267 -4.7863 0.7895 1. Pu(Ox)+2,AQ Pu(Ox)+2 Pu(Ox)+2,AQ Pu(1)C(2)O(4)+(2) ref:G16 03.Dec.97 -285533. -322634. -36.0 0.0 0.0 0.0 0.0 23.7073 -1.5882 1.6004 2. NpO2(Ox)+2,AQ NpO2(Ox)+2 NpO2(Ox)+2,AQ Np(1)C(2)O(6)+(2) ref:G16 03.Dec.97 -327304. -365780. -23.7 0.0 0.0 0.0 0.0 22.4362 0.5913 0.6983 2. Sm(Ox)+,AQ Sm(Ox)+,AQ Sm(Ox)+,AQ Sm(1)C(2)O(4)+(1) ref:G16 12.Dec.97 -327268. -359798. -7.3 0.0 0.0 0.0 0.0 -9.7290 -10.4899 0.6644 1. Li(Ox)-,AQ Li(Ox)- Li(Ox)-,AQ Li(1)C(2)O(4)-(1) ref:G16 11.Mar.98 -232103. -260234. 29.0 0.0 0.0 0.0 0.0 28.3621 1.2227 1.1898 -1. Sr(Ox),AQ Sr(Ox) Sr(Ox),AQ Sr(1)C(2)O(4)+(0) ref:G16 11.Mar.98 -299844. -327046. 22.1 0.0 0.0 0.0 0.0 4.2183 -3.7271 0.0053 0. Ba(Ox),AQ Ba(Ox) Ba(Ox),AQ Ba(1)C(2)O(4)+(0) ref:G16 11.Mar.98 -299132. -325090. 28.8 0.0 0.0 0.0 0.0 2.0807 -4.1752 -0.0961 0. Li(Mal)-,AQ Li(Mal)- Li(Mal)-,AQ Li(1)C(3)H(4)O(4)-(1) ref:G16 11.Dec.97 -234812. -272078. 31. 0.0 0.0 0.0 0.0 32.7472 2.8320 1.1605 -1. Mg(Mal),AQ Mg(Mal) Mg(Mal),AQ Mg(1)C(3)H(4)O(4)+(0) ref:G16 11.Dec.97 -276167. -317081. 4.0 0.0 0.0 0.0 0.0 13.9292 -1.1482 0.2794 0. Zn(Mal),AQ Zn(Mal) Zn(Mal),AQ Zn(1)C(3)H(4)O(4)+(0) ref:G16 11.Dec.97 -204172. -242743. 14.0 0.0 0.0 0.0 0.0 12.1007 -1.3438 0.1280 0. Cd(Mal),AQ Cd(Mal) Cd(Mal),AQ Cd(1)C(3)H(4)O(4)+(0) ref:G16 11.Dec.97 -187027. -225429. 17. 0.0 0.0 0.0 0.0 13.3032 -0.7938 0.0825 0. Al(Mal)+,AQ Al(Mal)+ Al(Mal)+,AQ Al(1)C(3)H(4)O(4)+(1) ref:G16 11.Dec.97 -289589. -331497. -16. 0.0 0.0 0.0 0.0 2.2763 -6.6807 0.7895 1. Pb(Mal),AQ Pb(Mal) Pb(Mal),AQ Pb(1)C(3)H(4)O(4)+(0) ref:G16 12.Dec.97 -174819. -204905. 48. 0.0 0.0 0.0 0.0 3.7922 -2.6475 -0.4172 0. Na(Mal)-,AQ Na(Mal)- Na(Mal)-,AQ Na(1)C(3)H(4)O(4)-(1) ref:G16 11.Dec.97 -227252. -265366. 33.5 0.0 0.0 0.0 0.0 29.4300 1.7931 1.1213 -1. K(Mal)-,AQ K(Mal)- K(Mal)-,AQ K(1)C(3)H(4)O(4)-(1) ref:G16 11.Dec.97 -232648. -268321. 44.9 0.0 0.0 0.0 0.0 23.8260 0.3468 0.9486 -1. La(Mal)+,AQ La(Mal)+ La(Mal)+,AQ La(1)C(3)H(4)O(4)+(1) ref:G16 11.Dec.97 -334582. -376503. -9.2 0.0 0.0 0.0 0.0 -1.3006 -7.6381 0.6911 1. Gd(Mal)+,AQ Gd(Mal)+ Gd(Mal)+,AQ Gd(1)C(3)H(4)O(4)+(1) ref:G16 11.Dec.97 -329715. -371001. -4.4 0.0 0.0 0.0 0.0 -1.1139 -7.3733 0.6223 1. Lu(Mal)+,AQ Lu(Mal)+ Lu(Mal)+,AQ Lu(1)C(3)H(4)O(4)+(1) ref:G16 11.Dec.97 -330965. -374877. -17.3 0.0 0.0 0.0 0.0 2.7500 -6.5789 0.8111 1. Yb(Mal)+,AQ Yb(Mal)+ Yb(Mal)+,AQ Yb(1)C(3)H(4)O(4)+(1) ref:G16 11.Dec.97 -324483. -367480. -12.1 0.0 0.0 0.0 0.0 -0.4362 -7.4752 0.7384 1. Th(Mal)+2,AQ Th(Mal)+2 Th(Mal)+2,AQ Th(1)C(3)H(4)O(4)+(2) ref:G16 11.Dec.97 -342153. -389489. -44.2 0.0 0.0 0.0 0.0 29.2591 -0.0197 1.7247 2. Cu(Mal),AQ Cu(Mal) Cu(Mal),AQ Cu(1)C(3)H(4)O(4)+(0) ref:G16 11.Dec.97 -155944. -192837. 17.6 0.0 0.0 0.0 0.0 11.9966 -1.2216 0.0735 0. UO2(Mal),AQ UO2(Mal),AQ UO2(Mal),AQ U(1)C(3)H(4)O(6)+(0) ref:G16 12.Dec.97 -400814. -452438. 21.3 0.0 0.0 0.0 0.0 20.2020 1.7931 0.0174 0. Ce(Mal)+,AQ Ce(Mal)+ Ce(Mal)+,AQ Ce(1)C(3)H(4)O(4)+(1) ref:G16 12.Dec.97 -331473. -373278. -5.2 0.0 0.0 0.0 0.0 -2.6279 -7.9233 0.6305 1. Nd(Mal)+,AQ Nd(Mal)+ Nd(Mal)+,AQ Nd(1)C(3)H(4)O(4)+(1) ref:G16 12.Dec.97 -331810. -373133. -3.7 0.0 0.0 0.0 0.0 -5.5261 -8.8603 0.6063 1. Sm(Mal)+,AQ Sm(Mal)+ Sm(Mal)+,AQ Sm(1)C(3)H(4)O(4)+(1) ref:G16 12.Dec.97 -330706. -372547. -5.9 0.0 0.0 0.0 0.0 -5.3130 -8.8807 0.6388 1. Pr(Mal)+,AQ Pr(Mal)+ Pr(Mal)+,AQ Pr(1)C(3)H(4)O(4)+(1) ref:G16 12.Dec.97 -333756. -375646. -5.2 0.0 0.0 0.0 0.0 -7.9610 -9.7770 0.6305 1. Eu(Mal)+,AQ Eu(Mal)+ Eu(Mal)+,AQ Eu(1)C(3)H(4)O(4)+(1) ref:G16 12.Dec.97 -308524. -351636. -8.2 0.0 0.0 0.0 0.0 -1.0990 -7.5159 0.6732 1. Tb(Mal)+,AQ Tb(Mal)+ Tb(Mal)+,AQ Tb(1)C(3)H(4)O(4)+(1) ref:G16 12.Dec.97 -331392. -374477. -9.2 0.0 0.0 0.0 0.0 -3.2346 -8.3103 0.6911 1. Dy(Mal)+,AQ Dy(Mal)+ Dy(Mal)+,AQ Dy(1)C(3)H(4)O(4)+(1) ref:G16 12.Dec.97 -330783. -373740. -8.4 0.0 0.0 0.0 0.0 1.8472 -6.5178 0.6821 1. Tm(Mal)+,AQ Tm(Mal)+ Tm(Mal)+,AQ Tm(1)C(3)H(4)O(4)+(1) ref:G16 12.Dec.97 -331888. -376252. -13.3 0.0 0.0 0.0 0.0 0.8771 -7.0474 0.7483 1. Ho(Mal)+,AQ Ho(Mal)+ Ho(Mal)+,AQ Ho(1)C(3)H(4)O(4)+(1) ref:G16 12.Dec.97 -333361. -377876. -13.5 0.0 0.0 0.0 0.0 1.5473 -6.8437 0.7584 1. Er(Mal)+,AQ Er(Mal)+ Er(Mal)+,AQ Er(1)C(3)H(4)O(4)+(1) ref:G16 13.Dec.97 -331861. -376225. -13.5 0.0 0.0 0.0 0.0 0.9612 -7.0474 0.7584 1. Sc(Mal)+,AQ Sc(Mal)+ Sc(Mal)+,AQ Sc(1)C(3)H(4)O(4)+(1) ref:G16 13.Dec.97 -315613. -351728. -10.2 0.0 0.0 0.0 0.0 -0.0910 -7.2715 0.7096 1. Fe(Mal)+,AQ Fe(Mal)+ Fe(Mal)+,AQ Fe(1)C(3)H(4)O(4)+(1) ref:G16 13.Dec.97 -174934. -215130. -10.5 0.0 0.0 0.0 0.0 0.6708 -7.0067 0.7096 1. Cs(Mal)-,AQ Cs(Mal)- Cs(Mal)-,AQ Cs(1)C(3)H(4)O(4)-(1) ref:G16 11.Dec.97 -234261. -269659. 50.7 0.0 0.0 0.0 0.0 18.2295 -1.3438 0.8611 -1. NH4(Mal)-,AQ NH4(Mal)- NH4(Mal)-,AQ N(1)H(4)C(3)H(4)O(4)-(1) ref:G16 11.Dec.97 -184292. -240119. 47.2 0.0 0.0 0.0 0.0 31.7440 3.1986 0.9143 -1. Sr(Mal),AQ Sr(Mal) Sr(Mal),AQ Sr(1)C(3)H(4)O(4)+(0) ref:G16 12.Dec.97 -301413. -337769. 24.0 0.0 0.0 0.0 0.0 8.6663 -2.0975 -0.0234 0. Cr(Mal),AQ Cr(Mal) Cr(Mal),AQ Cr(1)C(3)H(4)O(4)+(0) ref:G16 12.Dec.97 -209628. -247329. 12.6 0.0 0.0 0.0 0.0 11.7505 -1.5271 0.1492 0. Be(Mal),AQ Be(Mal) Be(Mal),AQ Be(1)C(3)H(4)O(4)+(0) ref:G16 12.Dec.97 -263425. -301710. 7.3 0.0 0.0 0.0 0.0 15.8793 -0.3253 0.2294 0. Fe(Mal),AQ Fe(Mal) Fe(Mal),AQ Fe(1)C(3)H(4)O(4)+(0) ref:G16 12.Dec.97 -190569. -228744. 11.9 0.0 0.0 0.0 0.0 11.3118 -1.7105 0.1598 0. In(Mal)+,AQ In(Mal)+ In(Mal)+,AQ In(1)C(3)H(4)O(4)+(1) ref:G16 12.Dec.97 -197039. -240379. -13.7 0.0 0.0 0.0 0.0 12.0964 -3.1771 0.7584 1. Y(Mal)+,AQ Y(Mal)+ Y(Mal)+,AQ Y(1)C(3)H(4)O(4)+(1) ref:G16 12.Dec.97 -334437. -376214. -11.7 0.0 0.0 0.0 0.0 -0.1075 -7.3326 0.7287 1. Ca(Mal),AQ Ca(Mal) Ca(Mal),AQ Ca(1)C(3)H(4)O(4)+(0) ref:G16 11.Dec.97 -299291. -336094. 19.9 0.0 0.0 0.0 0.0 10.9999 -1.5943 0.0825 0. Ba(Mal),AQ Ba(Mal) Ba(Mal),AQ Ba(1)C(3)H(4)O(4)+(0) ref:G16 11.Dec.97 -300901. -336014. 30.7 0.0 0.0 0.0 0.0 6.3055 -2.5660 -0.1446 0. Mn(Mal),AQ Mn(Mal) Mn(Mal),AQ Mn(1)C(3)H(4)O(4)+(0) ref:G16 11.Dec.97 -223349. -260016. 18.1 0.0 0.0 0.0 0.0 12.5039 -0.8957 0.0220 0. Co(Mal),AQ Co(Mal) Co(Mal),AQ Co(1)C(3)H(4)O(4)+(0) ref:G16 11.Dec.97 -181890. -220607. 10.7 0.0 0.0 0.0 0.0 11.4747 -1.6493 0.1583 0. Ni(Mal),AQ Ni(Mal) Ni(Mal),AQ Ni(1)C(3)H(4)O(4)+(0) ref:G16 11.Dec.97 -180254. -219729. 8.2 0.0 0.0 0.0 0.0 9.8222 -2.4438 0.2340 0. Mn(Succ),AQ Mn(Succ) Mn(Succ),AQ Mn(1)C(4)H(4)O(4)+(0) ref:G16 11.Dec.97 -222564. -267487. 23. 0.0 0.0 0.0 0.0 20.9831 2.1394 -0.0083 0. Co(Succ),AQ Co(Succ) Co(Succ),AQ Co(1)C(4)H(4)O(4)+(0) ref:G16 11.Dec.97 -180409. -228471. 12. 0.0 0.0 0.0 0.0 20.2073 1.3857 0.1583 0. Ni(Succ),AQ Ni(Succ) Ni(Succ),AQ Ni(1)C(4)H(4)O(4)+(0) ref:G16 11.Dec.97 -178473. -227715. 8.0 0.0 0.0 0.0 0.0 18.4280 0.5913 0.2188 0. Pb(Succ),AQ Pb(Succ) Pb(Succ),AQ Pb(1)C(4)H(4)O(4)+(0) ref:G16 13.Dec.97 -175603. -212429. 58. 0.0 0.0 0.0 0.0 11.5118 0.3876 -0.5383 0. Na(Succ)-,AQ Na(Succ)- Na(Succ)-,AQ Na(1)C(4)H(4)O(4)-(1) ref:G16 11.Dec.97 -228131. -273880. 40.5 0.0 0.0 0.0 0.0 37.2808 4.8282 1.0158 -1. K(Succ)-,AQ K(Succ)- K(Succ)-,AQ K(1)C(4)H(4)O(4)-(1) ref:G16 11.Dec.97 -233063. -276729. 50.7 0.0 0.0 0.0 0.0 31.8262 3.3820 0.8611 -1. Ca(Succ),AQ Ca(Succ) Ca(Succ),AQ Ca(1)C(4)H(4)O(4)+(0) ref:G16 11.Dec.97 -299556. -344864. 24.0 0.0 0.0 0.0 0.0 18.8639 1.4468 -0.0234 0. Cu(Succ),AQ Cu(Succ) Cu(Succ),AQ Cu(1)C(4)H(4)O(4)+(0) ref:G16 11.Dec.97 -153453. -197474. 26.3 0.0 0.0 0.0 0.0 19.6276 1.8135 -0.0583 0. Zn(Succ),AQ Zn(Succ) Zn(Succ),AQ Zn(1)C(4)H(4)O(4)+(0) ref:G16 11.Dec.97 -203223. -249935. 19.3 0.0 0.0 0.0 0.0 20.1623 1.6912 0.0477 0. Cd(Succ),AQ Cd(Succ) Cd(Succ),AQ Cd(1)C(4)H(4)O(4)+(0) ref:G16 11.Dec.97 -186515. -231329. 28.1 0.0 0.0 0.0 0.0 20.6891 2.2616 -0.0855 0. UO2(Succ),AQ UO2(Succ) UO2(Succ),AQ U(1)O(2)C(4)H(4)O(4)+(0) ref:G16 13.Dec.97 -399128. -457582. 31.0 0.0 0.0 0.0 0.0 27.7064 4.8282 -0.1295 0. Th(Succ)+2,AQ Th(Succ)+2 Th(Succ)+2,AQ Th(1)C(4)H(4)O(4)+(2) ref:G16 11.Dec.97 -342227. -397102. -36.5 0.0 0.0 0.0 0.0 37.0433 3.0153 1.6113 2. Mg(Succ),AQ Mg(Succ) Mg(Succ),AQ Mg(1)C(4)H(4)O(4)+(0) ref:G16 11.Dec.97 -275327. -323172. 13.4 0.0 0.0 0.0 0.0 21.4953 1.8949 0.1371 0. Ba(Succ),AQ Ba(Succ) Ba(Succ),AQ Ba(1)C(4)H(4)O(4)+(0) ref:G16 11.Dec.97 -301248. -344085. 37.4 0.0 0.0 0.0 0.0 14.3544 0.4690 -0.2264 0. La(Succ)+2,AQ La(Succ)+2 La(Succ)+2,AQ La(1)C(4)H(4)O(4)+(1) ref:G16 11.Dec.97 -333783. -382552. 0.4 0.0 0.0 0.0 0.0 6.2221 -4.6030 0.5464 1. NH4(Succ)+2,AQ NH4(Succ)+2 NH4(Succ)+2,AQ N(1)H(4)C(4)H(4)O(4)+(2) ref:G16 11.Dec.97 -184830. -248381. 53.9 0.0 0.0 0.0 0.0 16.1839 -1.9142 0.8127 -1. Be(Succ),AQ Be(Succ)+ Be(Succ),AQ Be(1)C(4)H(4)O(4)+(0) ref:G16 13.Dec.97 -261329. -307338. 14.0 0.0 0.0 0.0 0.0 23.7636 2.7097 0.1280 0. Fe(Succ)+,AQ Fe(Succ)+ Fe(Succ)+,AQ Fe(1)C(4)H(4)O(4)+(1) ref:G16 13.Dec.97 -180944. -230499. -9.3 0.0 0.0 0.0 0.0 9.2484 -3.9715 0.6911 1. Sc(Succ)+,AQ Sc(Succ)+ Sc(Succ)+,AQ Sc(1)C(4)H(4)O(4)+(1) ref:G16 13.Dec.97 -311593. -360599. -5.7 0.0 0.0 0.0 0.0 8.0490 -4.2363 0.6388 1. Sr(Succ),AQ Sr(Succ) Sr(Succ),AQ Sr(1)C(4)H(4)O(4)+(0) ref:G16 11.Mar.98 -305007. -349088. 30.7 0.0 0.0 0.0 0.0 16.4919 0.9172 -0.1249 0. PuO2(Succ),AQ PuO2(Succ) PuO2(Succ),AQ Pu(1)O(6)C(4)H(4)+(0) ref:G16 03.Dec.97 -352253. -410929. 21.5 0.0 0.0 0.0 0.0 28.9090 4.8282 0.0144 0. NpO2(Succ)-,AQ NpO2(Succ)- NpO2(Succ)-,AQ Np(1)O(6)C(4)H(4)-(1) ref:G16 03.Dec.97 -334413. -389768. 32.3 0.0 0.0 0.0 0.0 39.4934 5.2356 1.1402 -1. Sm(Succ)+,AQ Sm(Succ)+ Sm(Succ)+,AQ Sm(1)C(4)H(4)O(4)+(1) ref:G16 11.Mar.98 -330384. -379793. 1.3 0.0 0.0 0.0 0.0 2.5301 -5.8456 0.5324 1. Er(Succ)+,AQ Er(Succ)+ Er(Succ)+,AQ Er(1)C(4)H(4)O(4)+(1) ref:G16 11.Mar.98 -331130. -382336. -3.8 0.0 0.0 0.0 0.0 8.4222 -4.0123 0.6063 1. U(Succ)+2,AQ U(Succ)+2 U(Succ)+2,AQ U(1)C(4)H(4)O(4)+(2) ref:G16 11.Mar.98 -298889. -352175. -31.9 0.0 0.0 0.0 0.0 36.6582 3.0968 1.5372 2. Fe(Succ),AQ Fe(Succ) Fe(Succ),AQ Fe(1)C(4)H(4)O(4)-(0) ref:G16 14.Jan.98 -190155. -236054. 18.6 0.0 0.0 0.0 0.0 19.1958 1.3246 0.0583 0. Sr(Succ),AQ Sr(Succ) Sr(Succ),AQ Sr(1)C(4)H(4)O(4)-(0) ref:G16 14.Jan.98 -301804. -345884. 30.7 0.0 0.0 0.0 0.0 16.4919 0.9172 -0.1249 0. Li(Succ)-,AQ Li(Succ)- Li(Succ)-,AQ Li(1)C(4)H(4)O(4)-(1) ref:G16 11.Mar.98 -235383. -280393. 37.6 0.0 0.0 0.0 0.0 40.6322 5.8671 1.0592 -1. Cr(Succ),AQ Cr(Succ) Cr(Succ),AQ Cr(1)C(4)H(4)O(4)+(0) ref:G16 11.Mar.98 -207493. -252918. 19.3 0.0 0.0 0.0 0.0 19.6347 1.5079 0.0477 0. Cu(Glut),AQ Cu(Glut) Cu(Glut),AQ Cu(1)C(5)H(6)O(4)+(0) ref:G16 11.Dec.97 -152107. -207131. 22.0 0.0 0.0 0.0 0.0 26.5015 4.0134 0.0068 0. Zn(Glut),AQ Zn(Glut) Zn(Glut),AQ Zn(1)C(5)H(6)O(4)+(0) ref:G16 11.Dec.97 -202095. -259214. 17.0 0.0 0.0 0.0 0.0 26.7828 3.8912 0.0825 0. Cd(Glut),AQ Cd(Glut) Cd(Glut),AQ Cd(1)C(5)H(6)O(4)+(0) ref:G16 11.Dec.97 -184704. -239925. 25.8 0.0 0.0 0.0 0.0 27.3096 4.4616 -0.0507 0. Ni(Glut),AQ Ni(Glut) Ni(Glut),AQ Ni(1)C(5)H(6)O(4)+(0) ref:G16 13.Dec.97 -177781. -237520. 5.4 0.0 0.0 0.0 0.0 25.0868 2.7912 0.2582 0. Ba(Glut),AQ Ba(Glut) Ba(Glut),AQ Ba(1)C(5)H(6)O(4)+(0) ref:G16 11.Dec.97 -300284. -350844. 44.1 0.0 0.0 0.0 0.0 19.8355 2.6690 -0.3278 0. Mn(Glut),AQ Mn(Glut) Mn(Glut),AQ Mn(1)C(5)H(6)O(4)+(0) ref:G16 11.Dec.97 -220699. -272813. 31.5 0.0 0.0 0.0 0.0 26.2365 4.3393 -0.1370 0. Co(Glut),AQ Co(Glut) Co(Glut),AQ Co(1)C(5)H(6)O(4)+(0) ref:G16 11.Dec.97 -179472. -233636. 24.1 0.0 0.0 0.0 0.0 25.0050 3.5856 -0.0250 0. La(Glut)+,AQ La(Glut)+ La(Glut)+,AQ La(1)C(5)H(6)O(4)+(1) ref:G16 11.Dec.97 -333010. -389502. 7.1 0.0 0.0 0.0 0.0 11.6926 -2.4030 0.4437 1. Y(Glut)+,AQ Y(Glut)+ Y(Glut)+,AQ Y(1)C(5)H(6)O(4)+(1) ref:G16 11.Dec.97 -333124. -390348. 1.7 0.0 0.0 0.0 0.0 13.2562 -2.0975 0.5256 1. Sc(Glut)+,AQ Sc(Glut)+ Sc(Glut)+,AQ Sc(1)C(5)H(6)O(4)+(1) ref:G16 11.Dec.97 -311666. -368395. 1.0 0.0 0.0 0.0 0.0 13.5476 -2.0364 0.5394 1. Th(Glut)+2,AQ Th(Glut)+2 Th(Glut)+2,AQ Th(1)C(5)H(6)O(4)+(2) ref:G16 11.Dec.97 -343991. -405398. -26.2 0.0 0.0 0.0 0.0 42.0857 5.2153 1.4574 2. Ca(Glut),AQ Ca(Glut) Ca(Glut),AQ Ca(1)C(5)H(6)O(4)+(0) ref:G16 13.Dec.97 -297828. -350078. 33.3 0.0 0.0 0.0 0.0 24.0159 3.6468 -0.1643 0. Pb(Glut),AQ Pb(Glut) Pb(Glut),AQ Pb(1)C(5)H(6)O(4)+(0) ref:G16 13.Dec.97 -174065. -224383. 45.4 0.0 0.0 0.0 0.0 19.4366 2.5875 -0.3475 0. Fe(Glut)+,AQ Fe(Glut)+ Fe(Glut)+,AQ Fe(1)C(5)H(6)O(4)+(1) ref:G16 13.Dec.97 -179243. -236521. -2.6 0.0 0.0 0.0 0.0 12.9716 -1.7716 0.3794 0. Sm(Glut)+,AQ Sm(Glut)+ Sm(Glut)+,AQ Sm(1)C(5)H(6)O(4)+(1) ref:G16 13.Dec.97 -328915. -386048. 8.0 0.0 0.0 0.0 0.0 8.0216 -3.6456 0.4322 1. Sc(Glut)+,AQ Sc(Glut)+ Sc(Glut)+,AQ Sc(1)C(5)H(6)O(4)+(1) ref:G16 13.Dec.97 -312512. -369241. 1.0 0.0 0.0 0.0 0.0 13.5476 -2.0364 0.5394 1. UO2(Glut),AQ UO2(Glut) UO2(Glut),AQ U(1)O(2)C(5)H(6)O(4)+(0) ref:G16 13.Dec.97 -397086. -466597. 26.5 0.0 0.0 0.0 0.0 34.6054 7.0282 -0.0613 0. NpO2(Glut),AQ NpO2(Glut) NpO2(Glut),AQ Np(1)O(2)C(5)H(6)O(4)+(0) ref:G16 13.Dec.97 -356890. -419969. 39.0 0.0 0.0 0.0 0.0 34.1950 7.4356 -0.2506 0. Mg(Glut),AQ Mg(Glut) Mg(Glut),AQ Mg(1)C(5)H(6)O(4)+(0) ref:G16 11.Mar.98 -274469. -330037. 20.1 0.0 0.0 0.0 0.0 26.9765 4.0949 0.0356 0. Sr(Glut),AQ Sr(Glut) Sr(Glut),AQ Sr(1)C(5)H(6)O(4)+(0) ref:G16 11.Mar.98 -300514. -352318. 37.4 0.0 0.0 0.0 0.0 21.9732 3.1171 -0.2264 0. Er(Glut)+,AQ Er(Glut)+ Er(Glut)+,AQ Er(1)C(5)H(6)O(4)+(1) ref:G16 11.Mar.98 -330056. -393643. 2.9 0.0 0.0 0.0 0.0 13.9087 -1.8123 0.5055 1. Na(Glut)-,AQ Na(Glut)- Na(Glut)-,AQ Na(1)C(5)H(6)O(4)-(1) ref:G16 11.Mar.98 -227181. -279214. 52.0 0.0 0.0 0.0 0.0 42.1545 7.0282 0.8417 -1. K(Glut)-,AQ K(Glut)- K(Glut)-,AQ K(1)C(5)H(6)O(4)-(1) ref:G16 11.Mar.98 -232067. -282988. 58.9 0.0 0.0 0.0 0.0 37.1189 5.5819 0.7371 -1. Li(Glut)-,AQ Li(Glut)- Li(Glut)-,AQ Li(1)C(5)H(6)O(4)-(1) ref:G16 11.Mar.98 -234473. -287207. 44.3 0.0 0.0 0.0 0.0 46.1157 8.0670 0.9580 -1. Cr(Glut),AQ Cr(Glut) Cr(Glut),AQ Cr(1)C(5)H(6)O(4)+(0) ref:G16 11.Mar.98 -205917. -259066. 26.0 0.0 0.0 0.0 0.0 25.1160 3.7079 -0.0537 0. Fe(Glut),AQ Fe(Glut) Fe(Glut),AQ Fe(1)C(5)H(6)O(4)+(0) ref:G16 13.Dec.97 -188527. -242149. 25.3 0.0 0.0 0.0 0.0 24.6773 3.5245 -0.0431 0. Ca(Adip),AQ Ca(Adip) Ca(Adip),AQ Ca(1)C(6)H(8)O(4)+(0) ref:G16 11.Dec.97 -294498. -354473. 40.0 0.0 0.0 0.0 0.0 32.5446 6.9060 -0.2657 0. Ba(Adip),AQ Ba(Adip) Ba(Adip),AQ Ba(1)C(6)H(8)O(4)+(0) ref:G16 11.Dec.97 -296040. -354324. 50.8 0.0 0.0 0.0 0.0 28.3642 5.9282 -0.4293 0. Co(Adip),AQ Co(Adip) Co(Adip),AQ Co(1)C(6)H(8)O(4)+(0) ref:G16 11.Dec.97 -174846. -236734. 30.8 0.0 0.0 0.0 0.0 33.5335 6.8449 -0.1264 0. Ni(Adip),AQ Ni(Adip) Ni(Adip),AQ Ni(1)C(6)H(8)O(4)+(0) ref:G16 11.Dec.97 -172446. -235092. 28.3 0.0 0.0 0.0 0.0 31.5645 6.0504 -0.0886 0. Cu(Adip),AQ Cu(Adip) Cu(Adip),AQ Cu(1)C(6)H(8)O(4)+(0) ref:G16 11.Dec.97 -147836. -209175. 33.4 0.0 0.0 0.0 0.0 34.4353 7.2726 -0.1658 0. Zn(Adip),AQ Zn(Adip) Zn(Adip),AQ Zn(1)C(6)H(8)O(4)+(0) ref:G16 11.Dec.97 -197865. -260417. 31.4 0.0 0.0 0.0 0.0 34.3368 7.1504 -0.1355 0. Cd(Adip),AQ Cd(Adip) Cd(Adip),AQ Cd(1)C(6)H(8)O(4)+(0) ref:G16 11.Dec.97 -180774. -242268. 37.4 0.0 0.0 0.0 0.0 35.2180 7.7208 -0.2264 0. La(Adip)+,AQ La(Adip)+ La(Adip)+,AQ La(1)C(6)H(8)O(4)+(1) ref:G16 11.Dec.97 -328984. -393200. 13.8 0.0 0.0 0.0 0.0 20.2397 0.8561 0.3444 1. Pb(Adip),AQ Pb(Adip) Pb(Adip),AQ Pb(1)C(6)H(8)O(4)+(0) ref:G16 13.Dec.97 -169999. -228040. 52.1 0.0 0.0 0.0 0.0 27.9653 5.8467 -0.4490 0. Sc(Adip)+,AQ Sc(Adip)+ Sc(Adip)+,AQ Sc(1)C(6)H(8)O(4)+(1) ref:G16 13.Dec.97 -308486. -372939. 7.7 0.0 0.0 0.0 0.0 22.0765 1.2227 0.4379 1. UO2(Adip),AQ UO2(Adip) UO2(Adip),AQ U(1)O(2)C(6)H(8)O(4)+(0) ref:G16 13.Dec.97 -393770. -471004. 33.2 0.0 0.0 0.0 0.0 43.1342 10.2874 -0.1628 0. Th(Adip)+2,AQ Th(Adip)+2 Th(Adip)+2,AQ Th(1)C(6)H(8)O(4)+(2) ref:G16 11.Dec.97 -335668. -404798. -19.5 0.0 0.0 0.0 0.0 50.6089 8.4745 1.3552 2. U(Adip)+2,AQ U(Adip)+2 U(Adip)+2,AQ U(1)C(6)H(8)O(4)+(2) ref:G16 11.Dec.97 -293872. -362605. -18.5 0.0 0.0 0.0 0.0 50.6956 8.5559 1.3375 2. Na(Adip)-,AQ Na(Adip)- Na(Adip)-,AQ Na(1)C(6)H(8)O(4)-(1) ref:G16 11.Dec.97 -223101. -282857. 58.7 0.0 0.0 0.0 0.0 27.2406 2.1394 0.7402 -1. K(Adip)-,AQ K(Adip) K(Adip)-,AQ K(1)C(6)H(8)O(4)-(1) ref:G16 11.Dec.97 -227987. -286631. 65.6 0.0 0.0 0.0 0.0 22.2054 0.6931 0.6356 -1. Li(Adip)-,AQ Li(Adip)- Li(Adip)-,AQ Li(1)C(6)H(8)O(4)-(1) ref:G16 11.Dec.97 -230393. -290850. 51.0 0.0 0.0 0.0 0.0 54.6467 11.3262 0.8568 -1. Mg(Adip),AQ Mg(Adip) Mg(Adip),AQ Mg(1)C(6)H(8)O(4)+(0) ref:G16 11.Dec.97 -270712. -334004. 26.8 0.0 0.0 0.0 0.0 35.5052 7.3541 -0.0659 0. Fe(Adip),AQ Fe(Adip) Fe(Adip),AQ Fe(1)C(6)H(8)O(4)+(0) ref:G16 11.Dec.97 -184250. -245597. 32.0 0.0 0.0 0.0 0.0 33.2060 6.7837 -0.1446 0. Mn(Adip),AQ Mn(Adip) Mn(Adip),AQ Mn(1)C(6)H(8)O(4)+(0) ref:G16 11.Dec.97 -217414. -277252. 38.2 0.0 0.0 0.0 0.0 34.7653 7.5985 -0.2385 0. Sr(Adip),AQ Sr(Adip) Sr(Adip),AQ Sr(1)C(6)H(8)O(4)+(0) ref:G16 11.Dec.97 -296914. -356443. 44.1 0.0 0.0 0.0 0.0 30.5019 6.3763 -0.3278 0. Cr(Adip),AQ Cr(Adip) Cr(Adip),AQ Cr(1)C(6)H(8)O(4)+(0) ref:G16 11.Dec.97 -201745. -262618. 32.7 0.0 0.0 0.0 0.0 33.6447 6.9671 -0.1552 0. UO2(Pime),AQ UO2(Pime) UO2(Pime),AQ U(1)C(6)H(10)O(6)+(0) ref:G16 11.Dec.97 -393281. -478239. 39.9 0.0 0.0 0.0 0.0 52.7765 13.9336 -0.2642 0. ADENINE,AQ C5H5N5 ADENINE C(5)H(5)N(5)+(0) ref:PC2 13.Nov.07 74770 31235 53.41 21.5 8.5 -2.66 -5.36 87.9 -15.87 0.07 0 GUANINE,AQ C5H5N5O GUANINE C(5)H(5)N(5)O(1)+(0) ref:PC2 13.Nov.07 16702 -34803 51.19 23.3 7.46 -5.48 -3.41 90.1 -15.87 0.23 0 CYTOSINE,AQ C4H5N3O CYTOSINE C(4)H(5)N(3)O(1)+(0) ref:PC2 13.Nov.07 -8411 -46915 47.64 17.31 5.86 6.6 -5.22 70.5 -13.36 0.17 0 THYMINE,AQ C5H6N2O2 THYMINE C(5)H(6)N(2)O(2)+(0) ref:PC2 13.Nov.07 -61315 -104969 48.96 21.27 7.27 -1.03 -5.09 83.2 -12.39 0.12 0 URACIL,AQ C4H4N2O2 URACIL C(4)H(4)N(2)O(2)+(0) ref:PC2 13.Nov.07 -59734 -94587 45.88 17.5 5.93 -1.61 -4.31 56.6 -9.4 0.14 0 RIBOSE,AQ C5H10O5 RIBOME C(5)H(10)O(5)+(0) ref:PC2 13.Nov.07 -179739 -247132 59.53 22.65 7.29 -5.39 -3.41 134.7 -32.82 0.17 0 DEOXYRIBOSE,AQ C5H10O4 DEOXYRIBOSE C(5)H(10)O(4)+(0) ref:PC2 13.Nov.07 -144433 -205037 57.82 22.54 7.27 -5.37 -3.4 124.4 -32.82 0.17 0 ADENOSINE,AQ C10H13N5O4 ADENOSINE C(10)H(13)N(5)O(4)+(0) ref:PC2 13.Nov.07 -46499 -148490 87.19 39.55 12.9 8.97 -8.82 163.2 -20.1 0.23 0 CYTIDINE,AQ C9H13N3O5 CYTIDINE C(9)H(13)N(3)O(5)+(0) ref:PC2 13.Nov.07 -130179 -226640 83.09 36.31 8 7.59 -6.59 132.6 -16.3 0.34 0 GUANOSINE,AQ C10H13N5O5 GUANOSINE C(10)H(13)N(5)O(5)+(0) ref:PC2 13.Nov.07 -105568 -214528 88.33 42.26 8.38 -2.46 -5.89 169.3 -20.1 0.39 0 THYMIDINE,AQ C10H14N2O6 THYMIDINE C(10)H(14)N(2)O(6)+(0) ref:PC2 13.Nov.07 -183083 -284694 84.42 38.16 10.96 12.4 -7.19 143.4 -14.9 0.29 0 URIDINE,AQ C9H12N2O6 URIDINE C(9)H(12)N(2)O(6)+(0) ref:PC2 13.Nov.07 -181502 -274312 81.34 36.15 7.09 5.13 -5.68 131.8 -16.65 0.31 0 DEOXYADENOSINE,AQ C10H13N5O3 DEOXYADENOSINE C(10)H(13)N(5)O(3)+(0) ref:PC2 13.Nov.07 -11193 -106386 85.48 38.03 16.96 15.16 -10.83 154.2 -20.1 0.23 0 DEOXYCYTIDINE,AQ C9H13N3O4 DEOXYCYTIDINE C(9)H(13)N(3)O(4)+(0) ref:PC2 13.Nov.07 -96652 -184534 87.35 35.82 9.72 7.4 -6.53 123.5 -16.3 0.34 0 DEOXYGUANOSINE,AQ C10H13N5O4 DEOXYGUANOSINE C(10)H(13)N(5)O(4)+(0) ref:PC2 13.Nov.07 -71539 -176273 77.99 39.45 15.5 14.28 -10.57 160.3 -20.1 0.39 0 DEOXYTHYMIDINE,AQ C10H14N2O5 DEOXYTHYMIDINE C(10)H(14)N(2)O(5)+(0) ref:PC2 13.Nov.07 -149556 -242588 88.68 38.87 11.45 -7.78 -3.61 134.4 -14.9 0.29 0 DEOXYURIDINE,AQ C8H12N2O5 DEOXYURIDINE C(8)H(12)N(2)O(5)+(0) ref:PC2 13.Nov.07 -147975 -232206 85.59 35.59 9.62 3.5 -6.28 122.8 -16.65 0.31 0 RIBOSE-5-PHOSPHATE-2C5H9O8P2- RIBOSE-5-PHOSPH C(5)H(9)O(8)P(1)-(2) ref:PC2 13.Nov.07 -378243 -487926 16.49 2.07 57.77 -17.55 0.39 102.9 -32.92 2.96 -2 AMP2- C10H12N5O7P2- AMP2- C(10)H(12)N(5)O(7)P(1)-(2) ref:PC2 13.Nov.07 -247417 -389148 52.89 2.32 108.81 -18.73 -1.72 130.2 -19.82 3.1 -2 HAMP- C10H13N507P- HAMP- C(10)H(13)N(507)P(1)-(1) ref:PC2 13.Nov.07 -255617 -388308 83.21 2.41 126.25 -19.14 -2.44 188 -22.3 3.1 -1 +H2AMP- C10H14N5O7P +H2AMP- C(10)H(14)N(5)O(7)P(1)+(0) ref:PC2 13.Nov.07 -260817 -392608 86.23 2.40 124.81 -19.11 -2.38 181.6 -19.1 2.5 0 CMP2- C9H12N3O8P2- CMP2- C(9)H(12)N(3)O(8)P(1)-(2) ref:PC2 13.Nov.07 -331097 -467460 48.24 2.26 96.92 -18.46 -1.23 101.1 -16.4 3.3 -2 HCMP- C9H13N3O8P1- HCMP- C(9)H(13)N(3)O(8)P(1)-(1) ref:PC2 13.Nov.07 -340147 -466110 83.09 2.35 114.36 -18.86 -1.95 158.8 -18.76 3.3 -1 +H2CMP- C9H14N3O8P +H2CMP- C(9)H(14)N(3)O(8)P(1)+(0) ref:PC2 13.Nov.07 -345337 -470410 86.11 2.34 113.1 -18.83 -1.90 154.1 -16.01 2.8 0 GMP2- C10H12N5O8P2- GMP2- C(10)H(12)N(5)O(8)P(1)-(2) ref:PC2 13.Nov.07 -306486 -455676 52.39 2.32 108.74 -18.73 -1.72 140.8 -21.21 3.5 -2 HGMP- C10H13N5O8P1- HGMP- C(10)H(13)N(5)O(8)P(1)-(1) ref:PC2 13.Nov.07 -315586 -454226 87.77 2.41 126.18 -19.14 -2.44 198.5 -23.7 3.5 -1 +H2GMP- C10H14N5O8P +H2GMP- C(10)H(14)N(5)O(8)P(1)+(0) ref:PC2 13.Nov.07 -320786 -458526 90.79 2.40 124.73 -19.1 -2.38 192.3 -20.7 2.9 0 TMP2- C10H13N2O9P2- TMP2- C(10)H(13)N(2)O(9)P(1)-(2) ref:PC2 13.Nov.07 -384001 -525514 49.58 2.30 105.68 -18.66 -1.59 111 -14.76 3.2 -2 HTMP- C10H14N2O9P1- HTMP- C(10)H(14)N(2)O(9)P(1)-(1) ref:PC2 13.Nov.07 -393021 -524279 83.97 2.39 123.11 -19.07 -2.31 168.7 -17.1 3.2 -1 +H2TMP- C10H15N2O9P +H2TMP- C(10)H(15)N(2)O(9)P(1)+(0) ref:PC2 13.Nov.07 -398221 -528579 86.99 2.38 121.67 -19.03 -2.25 162.3 -13.76 2.6 0 UMP2- C9H11N2O9P2- UMP2- C(9)H(11)N(2)O(9)P(1)-(2) ref:PC2 13.Nov.07 -382420 -515132 46.49 2.26 96.23 -18.44 -1.2 101.1 -17.15 3.3 -2 HUMP- C9H12N2O9P1- HUMP- C(9)H(12)N(2)O(9)P(1)-(1) ref:PC2 13.Nov.07 -391470 -514012 80.6 2.34 113.66 -18.85 -1.92 158.8 -19.52 3.3 -1 +H2UMP- C9H13N2O9P +H2UMP- C(9)H(13)N(2)O(9)P(1)+(0) ref:PC2 13.Nov.07 -396670 -518312 83.62 2.34 112.22 -18.81 -1.86 152.5 -16.32 2.7 0 AMP2- C10H12N5O7P2- AMP2- C(10)H(12)N(5)O(7)P(1)-(2) ref:PC2 13.Nov.07 -247417 -389148 52.89 2.32 108.81 -18.73 -1.72 130.2 -19.82 3.1 -2 HAMP- C10H13N507P- HAMP- C(10)H(13)N(507)P(1)-(1) ref:PC2 13.Nov.07 -255617 -388308 83.21 2.41 126.25 -19.14 -2.44 188 -22.3 3.1 -1 +H2AMP- C10H14N5O7P +H2AMP- C(10)H(14)N(5)O(7)P(1)+(0) ref:PC2 13.Nov.07 -260817 -392608 86.23 2.4 124.81 -19.11 -2.38 181.6 -19.1 2.5 0 dAMP2- C10H12N5O6P2- dAMP2- C(10)H(12)N(5)O(6)P(1)-(2) ref:PC2 13.Nov.07 -212111 -347206 50.63 2.32 108.17 -18.72 -1.69 121.5 -19.8 3.1 -2 dHAMP- C10H13N5O6P dHAMP- C(10)H(13)N(5)O(6)P(1)-(1) ref:PC2 13.Nov.07 -221205 -346166 84.61 2.4 125.61 -19.12 -2.41 179.3 -22.32 3.1 -1 d+H2AMP- C10H14N5O6P d+H2AMP- C(10)H(14)N(5)O(6)P(0)+(0) ref:PC2 13.Nov.07 -226401 -350466 87.62 2.4 124.17 -19.09 -2.35 172.9 -19.12 2.5 0 dCMP2- C9H12N3O7P2- dCMP2- C(9)H(12)N(3)O(7)P(1)-(2) ref:PC2 13.Nov.07 -297270 -425354 52.5 2.27 98.39 -18.49 -1.29 94.34 -17.34 3.4 -2 dHCMP- C9H13N3O7P1- dHCMP- C(9)H(13)N(3)O(7)P(1)-(1) ref:PC2 13.Nov.07 -306660 -424314 86.48 2.35 115.83 -18.99 -2.01 152 -19.74 3.4 -1 d+H2CMP- C9H14N3O7P d+H2CMP- C(9)H(14)N(3)O(7)P(1)+(0) ref:PC2 13.Nov.07 -311860 -428614 89.5 2.35 114.38 -18.86 -1.95 145.7 -16.54 2.8 0 dGMP2- C10H12N5O7P2- dGMP2- C(10)H(12)N(5)O(7)P(1)-(2) ref:PC2 13.Nov.07 -272457 -417092 43.15 2.31 107.71 -18.71 -1.67 131.4 -21.21 3.5 -2 dHGMP- C10H13N5O7P1- dHGMP- C(10)H(13)N(5)O(7)P(1)-(1) ref:PC2 13.Nov.07 -281547 -416052 77.13 2.4 125.15 -19.11 -2.39 189.1 -23.7 3.5 -1 d+H2GMP- C10H14N5O7P d+H2GMP- C(10)H(14)N(5)O(7)P(0)+(0) ref:PC2 13.Nov.07 -286747 -420352 80.14 2.39 123.7 -19.08 -2.33 182.9 -20.67 2.9 0 dTMP2- C10H13N2O8P2- dTMP2- C(10)H(13)N(2)O(8)P(1)-(2) ref:PC2 13.Nov.07 -350474 -483408 53.83 2.31 106.17 -18.67 -1.61 102.2 -14.76 3.2 -2 dHTMP- C10H14N2O8P1- dHTMP- C(10)H(14)N(2)O(8)P(1)-(1) ref:PC2 13.Nov.07 -359564 -482368 87.81 2.39 123.61 -19.08 -2.33 159.9 -17.1 3.2 -1 d+H2TMP- C10H15N2O8P d+H2TMP- C(10)H(15)N(2)O(8)P(1)+(0) ref:PC2 13.Nov.07 -364764 -486668 90.83 2.39 122.17 -19.04 -2.27 153.5 -13.76 2.6 0 dUMP2- C9H11N2O8P2- dUMP2- C(9)H(11)N(2)O(8)P(1)-(2) ref:PC2 13.Nov.07 -348893 -473026 50.75 2.25 95.77 -18.43 -1.12 92.27 -17.15 3.3 -2 dHUMP- C9H12N2O8P1- dHUMP- C(9)H(12)N(2)O(8)P(1)-(1) ref:PC2 13.Nov.07 -357983 -471986 84.73 2.34 113.21 -18.84 -1.9 145 -19.55 3.3 -1 d+H2UMP- C9H13N2O8P d+H2UMP- C(9)H(13)N(2)O(8)P(1)+(0) ref:PC2 13.Nov.07 -363183 -476286 87.74 2.33 111.76 -18.8 -1.84 143.7 -16.35 2.7 0 ADP3- C10H12N5O10P2-3 ADP3- C(10)H(12)N(5)O(10)P(2)-(3) ref:PC2 13.Nov.07 -452649 -624106 52.17 2.43 130.68 -19.24 -2.62 128.7 -24.87 4 -3 HADP2- C10H13N5O10P2-2 HADP2- C(10)H(13)N(5)O(10)P(2)-(2) ref:PC2 13.Nov.07 -462549 -623266 88.2 2.46 137.66 -19.4 -2.91 186.2 -21.65 3.8 -2 +H2ADP2- C10H14N5O10P2-1 +H2ADP2- C(10)H(14)N(5)O(10)P(2)-(1) ref:PC2 13.Nov.07 -468249 -627666 92.56 2.45 135.67 -19.36 -2.83 193.1 -14.87 2.9 -1 +H3ADP1- C10H15N5O10P2 +H3ADP1- C(10)H(15)N(5)O(10)P(2)+(0) ref:PC2 13.Nov.07 -470749 -625106 109.53 2.45 135.85 -19.36 -2.84 204 -11.89 1.2 0 CDP3- C9H12N3O112-3 CDP3- C(9)H(12)N(3)O(11)P(2)-(3) ref:PC2 13.Nov.07 -536329 -702338 47.8 2.37 118.75 -18.97 -2.13 99.37 -21.42 4.1 -3 HCDP2- C9H13N3O11P2-2 HCDP2- C(9)H(13)N(3)O(11)P(2)-(2) ref:PC2 13.Nov.07 -546119 -700998 85.13 2.4 125.76 -19.13 -2.42 157.1 -18.25 4 -2 +H2CDP2- C9H14N3O11P2-1 +H2CDP2- C(9)H(14)N(3)O(11)P(2)-(1) ref:PC2 13.Nov.07 -551819 -705398 89.49 2.39 123.77 -19.08 -2.34 164 -11.48 3.1 -1 +H3CDP1- C9H15N3O11P2 +H3CDP1- C(9)H(15)N(3)O(11)P(2)+(0) ref:PC2 13.Nov.07 -554319 -702838 106.64 2.4 123.96 -19.09 -2.33 175 -8.55 1.4 0 GDP3- C10H12N5O11P2-3 GDP3- C(10)H(12)N(5)O(11)P(2)-(3) ref:PC2 13.Nov.07 -511718 -690384 52.51 2.43 130.44 -19.24 -2.61 137.7 -25.78 4.3 -3 HGDP2- C10H13N3O11P2-2 HGDP2- C(10)H(13)N(3)O(11)P(2)-(2) ref:PC2 13.Nov.07 -521518 -688904 90.34 2.46 137.39 -19.4 -2.9 195 -22.49 4.1 -2 +H2GDP2- C10H14N5O11P2-1 +H2GDP2- C(10)H(14)N(5)O(11)P(2)-(1) ref:PC2 13.Nov.07 -527218 -693304 94.7 2.45 135.4 -19.35 -2.82 201.8 -15.7 3.2 -1 +H3GDP1- C10H15N5O11P2 +H3GDP1- C(10)H(15)N(5)O(11)P(2)+(0) ref:PC2 13.Nov.07 -529718 -690744 111.68 2.45 135.5 -19.35 -2.82 212 -12.6 1.4 0 TDP3- C10H13N2O12P2-3 TDP3- C(10)H(13)N(2)O(12)P(2)-(3) ref:PC2 13.Nov.07 -589233 -760392 49.13 2.41 127.51 -19.17 -2.49 109.2 -19.67 4.1 -3 HTDP2- C10H14N2O12P2-2 HTDP2- C(10)H(14)N(2)O(12)P(2)-(2) ref:PC2 13.Nov.07 -599033 -759182 86.06 2.45 134.52 -19.33 -2.78 167 -16.54 3.9 -2 +H2TDP2- C10H15N2O12P2-1 +H2TDP2- C(10)H(15)N(2)O(12)P(2)-(1) ref:PC2 13.Nov.07 -604733 -763582 90.42 2.44 132.53 -19.28 -2.7 173.9 -9.78 3 -1 +H3TDP1- C10H16N2O12P2 +H3TDP1- C(10)H(16)N(2)O(12)P(2)+(0) ref:PC2 13.Nov.07 -607233 -761022 107.39 2.44 132.62 -19.29 -2.7 184 -6.6 1.2 0 UDP3- C9H11N2O12P2-3 UDP3- C(9)H(11)N(2)O(12)P(2)-(3) ref:PC2 13.Nov.07 -587652 -750010 46.04 2.37 118.06 -18.95 -2.1 99.37 -22.16 4.2 -3 HUDP2- C9H12N2O12P2-2 HUDP2- C(9)H(12)N(2)O(12)P(2)-(2) ref:PC2 13.Nov.07 -597432 -748930 82.47 2.4 125.07 -19.11 -2.39 157.1 -18.99 4 -2 +H2UDP2- C9H13N2O12P1-1 +H2UDP2- C(9)H(13)N(2)O(12)P(2)-(1) ref:PC2 13.Nov.07 -603132 -753330 86.83 2.39 123.07 -19.07 -2.31 164 -12.22 3.1 -1 +H3UDP1- C9H14N2O12P2 +H3UDP1- C(9)H(14)N(2)O(12)P(2)+(0) ref:PC2 13.Nov.07 -605632 -750770 103.8 2.39 123.17 -19.07 -2.31 174.2 -9.08 1.3 0 dADP3- C10H12N5O9P2-3 dADP3- C(10)H(12)N(5)O(9)P(2)-(3) ref:PC2 13.Nov.07 -417343 -582164 49.91 2.43 130.04 -19.23 -2.6 120 -24.87 4 -3 dHADP2- C10H13N5O9P2-2 dHADP2- C(10)H(13)N(5)O(9)P(2)-(2) ref:PC2 13.Nov.07 -427243 -581324 85.94 2.46 137.02 -19.39 -2.89 177.5 -21.65 3.8 -2 d+H2ADP2- C10H14N5O9P2-1 d+H2ADP2- C(10)H(14)N(5)O(9)P(2)-(1) ref:PC2 13.Nov.07 -432943 -585742 90.3 2.45 135.03 -19.34 -2.8 184.4 -14.87 2.9 -1 d+H3ADP1- C10H15N5O9P2 d+H3ADP1- C(10)H(15)N(5)O(9)P(2)+(0) ref:PC2 13.Nov.07 -435443 -583164 107.27 2.45 135.21 -19.35 -2.81 195.2 -11.89 1.2 0 dCDP3- C9H12N3O10P2-3 dCDP3- C(9)H(12)N(3)O(10)P(2)-(3) ref:PC2 13.Nov.07 -502802 -660232 52.05 2.38 120.13 -19 -2.19 91.57 -21.42 4.1 -3 dHCDP2- C9H13N3O10P2-2 dHCDP2- C(9)H(13)N(3)O(10)P(2)-(2) ref:PC2 13.Nov.07 -512592 -658892 89.39 2.41 127.04 -19.16 -2.47 148.5 -18.25 4 -2 d+H2CDP2- C9H14N3O10P2-1 d+H2CDP2- C(9)H(14)N(3)O(10)P(2)-(1) ref:PC2 13.Nov.07 -518292 -663292 93.75 2.4 125.05 -19.11 -2.39 155.4 -11.48 3.1 -1 d+H3CDP1- C9H15N3O10P2 d+H3CDP1- C(9)H(15)N(3)O(10)P(2)+(0) ref:PC2 13.Nov.07 -520792 -660732 110.72 2.4 125.15 -19.11 -2.39 165.6 -8.55 1.4 0 dGDP3- C10H12N5O10P2-3 dGDP3- C(10)H(12)N(5)O(10)P(2)-(3) ref:PC2 13.Nov.07 -477689 -651800 43.27 2.42 129.41 -19.21 -2.57 128.3 -25.78 4.3 -3 dHGDP2- C10H13N5O10P2-2 dHGDP2- C(10)H(13)N(5)O(10)P(2)-(2) ref:PC2 13.Nov.07 -487489 -650320 81.11 2.46 136.36 -19.37 -2.86 185.6 -22.49 4.1 -2 d+H2GDP2- C10H14N5O10P2-1 d+H2GDP2- C(10)H(14)N(5)O(10)P(2)-(1) ref:PC2 13.Nov.07 -493189 -654720 85.47 2.45 134.37 -19.33 -2.78 192.4 -15.7 3.2 -1 d+H3GDP1 C10H15N5O10P2 d+H3GDP1 C(10)H(15)N(5)O(10)P(2)+(1) ref:PC2 13.Nov.07 -495689 -652160 102.44 2.45 134.47 -19.33 -2.78 202.6 -12.6 1.4 1 dTDP3- C10H13N2O11P2-3 dTDP3- C(10)H(13)N(2)O(11)P(2)-(3) ref:PC2 13.Nov.07 -555706 -718286 53.39 2.42 128 -19.18 -2.51 100.4 -19.67 4.1 -3 dHTDP2- C10H14N2O11P2-2 dHTDP2- C(10)H(14)N(2)O(11)P(2)-(2) ref:PC2 13.Nov.07 -565506 -717076 90.31 2.45 135.01 -19.34 -2.8 158.1 -16.54 3.9 -2 d+H2TDP2- C10H15N2O11P2-1 d+H2TDP2- C(10)H(15)N(2)O(11)P(2)-(1) ref:PC2 13.Nov.07 -571206 -721476 94.67 2.44 133.02 -19.3 -2.72 165 -9.78 3 -1 d+H3TDP1- C10H16N2O11P2 d+H3TDP1- C(10)H(16)N(2)O(11)P(2)+(0) ref:PC2 13.Nov.07 -573706 -718916 111.65 2.44 133.11 -19.3 -2.72 175.1 -6.6 1.2 0 dUDP-3 C9H11N2O11P2-3 dUDP-3 C(9)H(11)N(2)O(11)P(2)-(3) ref:PC2 13.Nov.07 -554125 -707904 50.3 2.36 117.6 -18.94 -2.08 90.54 -22.16 4.2 -3 dHUDP2- C9H12N2O11P2-2 dHUDP2- C(9)H(12)N(2)O(11)P(2)-(2) ref:PC2 13.Nov.07 -563905 -706824 86.73 2.4 124.61 -19.1 -2.37 148.3 -18.99 4 -2 d+H2UDP2- C9H13N2O11P2-1 d+H2UDP2- C(9)H(13)N(2)O(11)P(2)-(1) ref:PC2 13.Nov.07 -569605 -711224 91.09 2.39 122.62 -19.06 -2.29 155.2 -12.22 3.1 -1 d+H3UDP1- C9H14N2O11P2 d+H3UDP1- C(9)H(14)N(2)O(11)P(2)+(0) ref:PC2 13.Nov.07 -572105 -708664 108.06 2.39 122.72 -19.06 -2.29 165.3 -9.08 1.3 0 ATP4- C10H12N5O13P3-4 ATP4- C(10)H(12)N(5)O(13)P(3)-(4) ref:PC2 13.Nov.07 -657038 -859264 47.96 2.45 135.79 -19.36 -2.83 128.4 -30.27 5 -4 HATP3- C10H13N5O13P3-3 HATP3- C(10)H(13)N(5)O(13)P(3)-(3) ref:PC2 13.Nov.07 -667538 -857864 87.87 2.50 145.79 -19.59 -3.25 199.2 -30.37 4.9 -3 +H2ATP3- C10H14N5O13P3-2 +H2ATP3- C(10)H(14)N(5)O(13)P(3)-(2) ref:PC2 13.Nov.07 -673738 -861764 95.59 2.5 145.08 -19.58 -3.22 239.3 -31.04 4.7 -2 +H3ATP2- C10H15N5O13P3-1 +H3ATP2- C(10)H(15)N(5)O(13)P(3)-(1) ref:PC2 13.Nov.07 -676438 -860264 109.67 2.54 152.09 -19.74 -3.51 296.4 -30.22 4.5 -1 +H4ATP- C10H16N5O13P3 +H4ATP- C(10)H(16)N(5)O(13)P(3)+(0) ref:PC2 13.Nov.07 -678500 -858553 122.33 2.55 155.28 -19.81 -3.64 351.9 -30.4 4.4 0 CTP4- C9H12N3O14P3-4 CTP4- C(9)H(12)N(3)O(14)P(3)-(4) ref:PC2 13.Nov.07 -740718 -937496 43.58 2.39 123.89 -19.08 -2.34 99.59 -27.07 5.2 -4 HCTP3- C9H13N3O14P3-3 HCTP3- C(9)H(13)N(3)O(14)P(3)-(3) ref:PC2 13.Nov.07 -751148 -935746 84.44 2.44 133.9 -19.32 -2.76 171 -27.91 5.1 -3 +H2CTP3- C9H14N3O14P3-2 +H2CTP3- C(9)H(14)N(3)O(14)P(3)-(2) ref:PC2 13.Nov.07 -757348 -939646 92.15 2.44 133.18 -19.3 -2.73 211.1 -28.49 4.9 -2 +H3CTP2- C9H15N3O14P3-1 +H3CTP2- C(9)H(15)N(3)O(14)P(3)-(1) ref:PC2 13.Nov.07 -760048 -938146 106.24 2.48 140.2 -19.46 -3.02 268.1 -27.53 4.7 -1 +H4CTP- C9H16N3O14P3 +H4CTP- C(9)H(16)N(3)O(14)P(3)+(0) ref:PC2 13.Nov.07 -762090 -936314 119.23 2.49 143.39 -19.54 -3.15 323.3 -27.75 4.6 0 GTP4- C10H12N5O14P3-4 GTP4- C(10)H(12)N(5)O(14)P(3)-(4) ref:PC2 13.Nov.07 -716107 -925542 48.3 2.45 135.43 -19.35 -2.82 136.1 -30.73 5.3 -4 HGTP3- C10H13N5O14P3-3 HGTP3- C(10)H(13)N(5)O(14)P(3)-(3) ref:PC2 13.Nov.07 -726537 -923792 89.15 2.50 145.62 -19.59 -3.24 209.2 -32.18 5.3 -3 +H2GTP3- C10H14N5O14P3-2 +H2GTP3- C(10)H(14)N(5)O(14)P(3)-(2) ref:PC2 13.Nov.07 -732737 -927692 96.86 2.50 144.91 -19.57 -3.21 249.3 -32.92 5.1 -2 +H3GTP2- C10H15N5O14P3-1 +H3GTP2- C(10)H(15)N(5)O(14)P(3)-(1) ref:PC2 13.Nov.07 -735437 -926192 110.95 2.53 152.01 -19.74 -3.51 307.2 -32.33 4.9 -1 +H4GTP- C10H16N5O14P3 +H4GTP- C(10)H(16)N(5)O(14)P(3)+(0) ref:PC2 13.Nov.07 -737480 -924362 123.94 2.55 155.2 -19.81 -3.64 361 -32.04 4.8 0 TTP4- C10H13N2O15P3-4 TTP4- C(10)H(13)N(2)O(15)P(3)-(4) ref:PC2 13.Nov.07 -793622 -995550 44.92 2.44 132.65 -19.29 -2.70 109.4 -25.31 5.1 -4 HTTP3- C10H14N2O15P3-3 HTTP3- C(10)H(14)N(2)O(15)P(3)-(3) ref:PC2 13.Nov.07 -803972 -993530 86.4 2.49 142.84 -19.52 -3.13 182.4 -26.6 5.1 -3 +H2TTP3- C10H15N2O15P3-2 +H2TTP3- C(10)H(15)N(2)O(15)P(3)-(2) ref:PC2 13.Nov.07 -810172 -997430 94.12 2.49 142.12 -19.51 -3.10 222.5 -27.18 4.9 -2 +H3TTP2- C10H16N2O15P3-1 +H3TTP2- C(10)H(16)N(2)O(15)P(3)-(1) ref:PC2 13.Nov.07 -812872 -995930 108.21 2.52 149.5 -19.68 -3.40 281.1 -26.69 4.8 -1 +H4TTP- C10H17N2O15P3 +H4TTP- C(10)H(17)N(2)O(15)P(3)+(0) ref:PC2 13.Nov.07 -815000 -994118 121.42 2.54 152.52 -19.75 -3.53 334.4 -26.45 4.7 0 UTP4- C9H11N2O15P3-4 UTP4- C(9)H(11)N(2)O(15)P(3)-(4) ref:PC2 13.Nov.07 -792041 -985168 41.83 2.39 123.11 -19.07 -2.31 98.4 -27.33 5.2 -4 HUTP3- C9H12N2O15P3-3 HUTP3- C(9)H(12)N(2)O(15)P(3)-(3) ref:PC2 13.Nov.07 -802441 -983278 83.05 2.44 133.3 -19.3 -2.73 171.4 -28.66 5.2 -3 +H2UTP3- C9H13N2O15P3-2 +H2UTP3- C(9)H(13)N(2)O(15)P(3)-(2) ref:PC2 13.Nov.07 -808641 -987178 90.77 2.44 132.67 -19.29 -2.71 212.3 -29.52 5 -2 +H3UTP2- C9H14N2O15P3-1 +H3UTP2- C(9)H(14)N(2)O(15)P(3)-(1) ref:PC2 13.Nov.07 -811341 -985678 104.85 2.47 139.86 -19.46 -3.00 270.9 -29.07 4.9 -1 +H4UTP- C9H15N2O15P3 +H4UTP- C(9)H(15)N(2)O(15)P(3)+(0) ref:PC2 13.Nov.07 -813380 -983806 117.97 2.49 143.06 -19.53 -3.14 324.6 -28.65 4.8 0 dATP4- C10H12N5O12P3-4 dATP4- C(10)H(12)N(5)O(12)P(3)-(4) ref:PC2 13.Nov.07 -621732 -817322 45.7 2.45 135.15 -19.35 -2.81 119.7 -30.27 5 -4 dHATP3- C10H13N5O12P3-3 dHATP3- C(10)H(13)N(5)O(12)P(3)-(3) ref:PC2 13.Nov.07 -632233 -815922 85.61 2.5 145.34 -19.58 -3.23 190.5 -30.37 4.9 -3 d+H2ATP3- C10H14N5O12P3-2 d+H2ATP3- C(10)H(14)N(5)O(12)P(3)-(2) ref:PC2 13.Nov.07 -638432 -819822 93.33 2.5 144.8 -19.57 -3.21 230.6 -31.04 4.7 -2 d+H3ATP2- C10H15N5O12P3-1 d+H3ATP2- C(10)H(15)N(5)O(12)P(3)-(1) ref:PC2 13.Nov.07 -641132 -818322 107.42 2.53 152 -19.74 -3.5 287.7 -30.22 4.5 -1 d+H4ATP- C10H16N5O12P3 d+H4ATP- C(10)H(16)N(5)O(12)P(3)+(0) ref:PC2 13.Nov.07 -643200 -816614 120.08 2.55 155.2 -19.81 -3.64 343.2 -30.4 4.4 0 dCTP4- C9H12N3O13P3-4 dCTP4- C(9)H(12)N(3)O(13)P(3)-(4) ref:PC2 13.Nov.07 -707191 -895390 47.84 2.4 125.18 -19.11 -2.4 90.63 -27.07 5.2 -4 dHCTP3- C9H13N3O13P3-3 dHCTP3- C(9)H(13)N(3)O(13)P(3)-(3) ref:PC2 13.Nov.07 -717621 -893640 88.69 2.45 135.36 -19.35 -2.82 162 -27.91 5.1 -3 d+H2CTP3- C9H14N3O13P3-2 d+H2CTP3- C(9)H(14)N(3)O(13)P(3)-(2) ref:PC2 13.Nov.07 -723821 -897540 96.41 2.45 134.83 -19.34 -2.8 202.1 -28.49 4.9 -2 d+H3CTP2- C9H15N3O13P3-1 d+H3CTP2- C(9)H(15)N(3)O(13)P(3)-(1) ref:PC2 13.Nov.07 -726521 -896040 110.49 2.49 142.03 -19.51 -3.09 259.1 -27.53 4.7 -1 d+H4CTP- C9H16N3O13P3 d+H4CTP- C(9)H(16)N(3)O(13)P(3)+(0) ref:PC2 13.Nov.07 -728570 -894253 123.36 2.5 145.22 -19.58 -3.22 314.3 -27.75 4.6 0 dGTP4- C10H12N5O13P3-4 dGTP4- C(10)H(12)N(5)O(13)P(3)-(4) ref:PC2 13.Nov.07 -682078 -886958 39.06 2.45 134.49 -19.33 -2.78 127.9 -30.73 5.3 -4 dHGTP3- C10H13N5O13P3-3 dHGTP3- C(10)H(13)N(5)O(13)P(3)-(3) ref:PC2 13.Nov.07 -692508 -885208 79.91 2.5 144.68 -19.57 -3.2 201 -32.18 5.3 -3 d+H2GTP3- C10H14N5O13P3-2 d+H2GTP3- C(10)H(14)N(5)O(13)P(3)-(2) ref:PC2 13.Nov.07 -698708 -889108 87.63 2.5 144.15 -19.55 -3.18 241.1 -32.92 5 -2 d+H3GTP2- C10H15N5O13P3-1 d+H3GTP2- C(10)H(15)N(5)O(13)P(3)-(1) ref:PC2 13.Nov.07 -701408 -887608 101.71 2.53 151.35 -19.72 -3.48 299 -32.33 4.9 -1 d+H4GTP- C10H16N5O13P3 d+H4GTP- C(10)H(16)N(5)O(13)P(3)+(0) ref:PC2 13.Nov.07 -703450 -885778 114.7 2.55 154.54 -19.8 -3.61 352.8 -32.04 4.8 0 dTTP4- C10H13N2O14P3-4 dTTP4- C(10)H(13)N(2)O(14)P(3)-(4) ref:PC2 13.Nov.07 -760095 -953444 49.17 2.44 133.14 -19.3 -2.73 100.5 -25.31 5.1 -4 dHTTP3- C10H14N2O14P3-3 dHTTP3- C(10)H(14)N(2)O(14)P(3)-(3) ref:PC2 13.Nov.07 -770445 -951424 90.66 2.49 143.33 -19.54 -3.15 173.5 -26.6 5.1 -3 d+H2TTP3- C10H15N2O14P3-2 d+H2TTP3- C(10)H(15)N(2)O(14)P(3)-(2) ref:PC2 13.Nov.07 -776645 -955324 98.38 2.49 142.8 -19.52 -3.12 213.6 -27.18 4.9 -2 d+H3TTP2- C10H16N2O14P3-1 d+H3TTP2- C(10)H(16)N(2)O(14)P(3)-(1) ref:PC2 13.Nov.07 -779345 -953824 112.46 2.52 149.99 -19.69 -3.42 272.2 -26.69 4.8 -1 d+H4TTP- C10H17N2O14P3 d+H4TTP- C(10)H(17)N(2)O(14)P(3)+(0) ref:PC2 13.Nov.07 -781370 -954020 118.6 2.54 153.19 -19.76 -3.55 325.5 -26.45 4.7 0 dUTP4- C9H11N2O14P3-4 dUTP4- C(9)H(11)N(2)O(14)P(3)-(4) ref:PC2 13.Nov.07 -758514 -943062 46.09 2.39 122.66 -19.06 -2.29 89.57 -27.33 5.2 -4 dHUTP3- C9H12N2O14P3-3 dHUTP3- C(9)H(12)N(2)O(14)P(3)-(3) ref:PC2 13.Nov.07 -768914 -941172 87.31 2.44 132.84 -19.29 -2.71 162.6 -28.66 5.2 -3 d+H2UTP3- C9H13N2O14P3-2 d+H2UTP3- C(9)H(13)N(2)O(14)P(3)-(2) ref:PC2 13.Nov.07 -775114 -945072 95.02 2.44 132.31 -19.28 -2.69 203.5 -29.52 5 -2 d+H3UTP2- C9H14N2O14P3-1 d+H3UTP2- C(9)H(14)N(2)O(14)P(3)-(1) ref:PC2 13.Nov.07 -777814 -943572 109.11 2.47 139.41 -19.44 -2.98 262.1 -29.07 4.9 -1 d+H4UTP- C9H15N2O14P3 d+H4UTP- C(9)H(15)N(2)O(14)P(3)+(0) ref:PC2 13.Nov.07 -779850 -940671 125.67 2.49 142.79 -19.52 -3.12 315.8 -28.65 4.8 0 METHANETHIOL,AQ CH3SH methanethiol C(1)H(4)S(1)+(0) ref:SR04 07.Dec.07 -1840 -11650 38.6 8.552 23.51 -25.819 -3.751 62.07 -5.575 -0.8704 0 ETHANETHIOL,AQ C2H5SH ethanethiol C(2)H(6)S(1)+(0) ref:SR04 07.Dec.07 -1100 -17820 45.5 10.71 28.39 -26.847 -3.953 80.02 -3.879 -0.8543 0 N-PROPANETHIOL,AQ C3H7SH n-propanethiol C(3)H(8)S(1)+(0) ref:SR04 07.Dec.07 1380 -23320 53.9 12.89 33.36 -28.109 -4.158 97.97 -2.232 -0.8382 0 N-BUTANETHIOL,AQ C4H9SH n-butanethiol C(4)H(10)S(1)+(0) ref:SR04 07.Dec.07 3560 -28630 61.3 15.05 38.25 -29.177 -4.36 115.92 0.536 -0.822 0 N-PENTANETHIOL,AQ C5H11SH n-pentanethiol C(5)H(12)S(1)+(0) ref:SR04 07.Dec.07 6150 -34530 66.6 17.23 43.16 -30.241 -4.563 133.87 1.111 -0.8059 0 N-HEXANETHIOL,AQ C6H13SH n-hexanethiol C(6)H(14)S(1)+(0) ref:SR04 07.Dec.07 7930 -40200 73.3 19.39 48.1 -31.467 -4.768 151.82 2.807 -0.7898 0 N-HEPTANETHIOL,AQ C7H15SH n-heptanethiol C(7)H(16)S(1)+(0) ref:SR04 07.Dec.07 9980 -45870 80.0 21.57 53.01 -32.531 -4.97 169.77 4.454 -0.7737 0 N-OCTANETHIOL,AQ C8H17SH n-octanethiol C(8)H(18)S(1)+(0) ref:SR04 07.Dec.07 12030 -51540 86.7 23.73 57.89 -33.599 -5.172 187.72 6.15 -0.7576 0 N-NONANETHIOL,AQ C9H19SH n-nonanethiol C(9)H(20)S(1)+(0) ref:SR04 07.Dec.07 14080 -57210 93.4 25.89 62.84 -34.826 -5.377 205.67 7.797 -0.7415 0 N-DECANETHIOL,AQ C10H21SH n-decanethiol C(10)H(22)S(1)+(0) ref:SR04 07.Dec.07 16130 -62880 100.1 28.07 67.75 -35.89 -5.58 223.62 9.494 -0.7253 0 N-UNDECANETHIOL,AQ C11H23SH n-undecanethiol C(11)H(24)S(1)+(0) ref:SR04 07.Dec.07 18180 -68550 106.8 30.23 72.63 -36.958 -5.782 241.57 11.141 -0.7092 0 N-DODECANETHIOL,AQ C12H25SH n-dodecanethiol C(12)H(26)S(1)+(0) ref:SR04 07.Dec.07 20230 -74220 113.5 32.4 77.6 -38.18 -5.987 259.52 12.837 -0.6931 0 XYLOSE,AQ C5H10O6 XYLOSE C(5)H(10)O(5)+(0) ref:G19 13.Nov.07 -179252 -249771 48.7 22.5 5.016 7.715 -4.681 107.74 -19.896 0.1672 0 ARABINOSE,AQ C5H10O7 ARABINOSE C(5)H(10)O(5)+(0) ref:G19 13.Nov.07 -177279 -249305 43.64 22.48 4.92 6.903 -5.398 110.75 -20.78 0.1672 0 LYXOSE,AQ C5H10O8 LYXOSE C(5)H(10)O(5)+(0) ref:G19 13.Nov.07 -178929 -249998 47.05 22.64 5.493 4.419 -5.064 110.97 -20.78 0.1672 0 XYLULOSE,AQ C5H10O9 XYLULOSE C(5)H(10)O(5)+(0) ref:G19 13.Nov.07 -178215 -245928 58.11 22.33 5.971 7.715 -5.493 119.81 -20.78 0.1672 0 RIBULOSE,AQ C5H10O5 RIBULOSE C(5)H(10)O(5)+(0) ref:G19 13.Nov.07 -175776 -244344 55.25 22.33 5.971 7.715 -5.493 119.81 -20.78 0.1672 0 GLUCOSE,AQ C6H12O6 GLUCOSE C(6)H(12)O(6)+(0) ref:G19 13.Nov.07 -218759 -301469 64.85 26.3 6.831 10.485 -6.306 115.89 -12.826 0.215 0 MANNOSE,AQ C6H12O6 MANNOSE C(6)H(12)O(6)+(0) ref:G19 13.Nov.07 -217586 -300626 63.75 26.56 5.446 6.712 -5.064 111.78 -14.14 0.215 0 GALACTOSE,AQ C6H12O6 GALACTOSE C(6)H(12)O(6)+(0) ref:G19 13.Nov.07 -217094 -299800 64.87 27.25 4.825 2.508 -5.279 128.07 -17.77 0.215 0 FRUCTOSE,AQ C6H12O6 FRUCTOSE C(6)H(12)O(6)+(0) ref:G19 13.Nov.07 -218666 -300798 66.78 26.23 7.5 9.554 -6.998 127.95 -20.756 0.215 0 SORBOSE,AQ C6H12O6 SORBOSE C(6)H(12)O(6)+(0) ref:G19 13.Nov.07 -217816 -301734 60.81 26.23 7.5 9.554 -6.998 127.95 -20.756 0.215 0 MgAMP MgC10H12N5O7P1 MgAMP Mg(1)C(10)H(12)N(5)O(7)P(1)+(0) ref:PC3 18.Feb.08 -359490 -497483 41.65 2.32 109.03 -18.73 -1.73 191.53 -18.25 4.30 0 MgADP- MgC10H12N5O10P2-1 MgADP- Mg(1)C(10)H(12)N(5)O(1)0P(2)-(1) ref:PC3 18.Feb.08 -567145 -730444 55.70 2.41 127.06 -19.15 -2.48 175.12 -3.89 3.11 -1 MgHADP MgC10H13N5O10P2 MgHADP Mg(1)C(10)H(13)N(5)O(10)P(2)+(0) ref:PC3 18.Feb.08 -574081 -731154 76.48 2.46 137.41 -19.39 -2.90 244.41 -19.36 4.78 0 Mg2ADP+ Mg2C10H12N5O10P2+1 Mg2ADP+ Mg(2)C(10)H(12)N(5)O(10)P(2)+(1) ref:PC3 18.Feb.08 -677848 -838470 41.27 2.34 113.03 -18.82 -1.90 166.73 -1.40 0.50 1 MgATP2- MgC10H12N5O13P3-2 MgATP2- Mg(1)C(10)H(12)N(5)O(13)P(3)-(2) ref:PC3 18.Feb.08 -773093 -965634 56.56 2.45 134.99 -19.33 -2.80 255.85 -26.08 5.73 -2 MgHATP- MgC10H13N5O13P3-1 MgHATP- Mg(1)C(10)H(13)N(5)O(13)P(3)-(1) ref:PC3 18.Feb.08 -780473 -964547 84.96 2.50 145.17 -19.57 -3.22 315.40 -25.56 5.73 -1 MgH2ATP MgC10H14N5O13P3 MgH2ATP Mg(1)C(10)H(14)N(5)O(13)P(3)+(0) ref:PC3 18.Feb.08 -785675 -969833 84.67 2.49 143.67 -19.53 -3.16 362.35 -24.10 5.02 0 Mg2ATP Mg2C10H12N5O13P3 Mg2ATP Mg(2)C(10)H(12)N(5)O(13)P(3)+(0) ref:PC3 18.Feb.08 -884013 -1072037 48.29 2.45 135.00 -19.33 -2.80 310.09 -23.10 6.45 0 H2NicMPred C11H17N2O8P1 H2NicMPred C(11)H(17)N(2)O(8)P(1)+(0) ref:PC3 18.Feb.08 -329405 -461819 87.82 2.44 133.08 -19.29 -2.72 144.76 -16.00 2.87 0 HNicMP-red C11H16N2O8P1-1 HNicMP-red C(11)H(16)N(2)O(8)P(1)-(1) ref:PC3 18.Feb.08 -324207 -457522 84.81 2.45 134.34 -19.32 -2.78 149.45 -18.75 3.34 -1 NicMP2-red C11H15N2O8P1-2 NicMP2-red C(11)H(15)N(2)O(8)P(1)-(2) ref:PC3 18.Feb.08 -316015 -458360 54.50 2.36 116.92 -18.91 -2.06 91.79 -16.39 3.34 -2 H2NicMP+ox C11H16N2O8P1+1 H2NicMP+ox C(11)H(16)N(2)O(8)P(1)+(1) ref:PC3 18.Feb.08 -334772 -454763 98.29 2.44 133.15 -19.29 -2.73 143.12 -18.87 2.87 1 HNicMPox C11H15N2O8P1 HNicMPox C(11)H(15)N(2)O(8)P(1)+(0) ref:PC3 18.Feb.08 -329574 -450466 95.25 2.45 134.42 -19.32 -2.78 147.80 -21.62 3.34 0 NicMP-ox C11H14N2O8P1-1 NicMP-ox C(11)H(14)N(2)O(8)P(1)-(1) ref:PC3 18.Feb.08 -321379 -451305 64.97 2.36 116.99 -18.91 -2.06 90.14 -19.26 3.34 -1 H2NADred C21H29N7O14P2 H2NADred C(21)H(29)N(7)O(14)P(2)+(0) ref:PC3 18.Feb.08 -529386 -780205 162.89 -2.41 247.90 -40.23 -1.92 325.07 -29.69 5.02 0 HNAD-red C21H28N7O14P2-1 HNAD-red C(21)H(28(N(7)O(14)P(2)-(1) ref:PC3 18.Feb.08 -527289 -782104 149.49 -2.57 247.49 -40.08 -1.90 326.26 -34.04 6.69 -1 NAD2-red C21H27N7O14P2-2 NAD2-red C(21)H(27)N(7)O(14)P(2)-(2) ref:PC3 18.Feb.08 -524091 -782603 137.10 -2.61 247.41 -40.04 -1.90 331.04 -38.07 8.36 -2 H2NAD+ox C21H28N7O14P2+1 H2NAD+ox C(21)H(28)N(7)O(14)P(2)+(1) ref:PC3 18.Feb.08 -534753 -773150 173.38 -2.41 247.97 -40.23 -1.92 323.40 -32.55 5.02 1 HNADox C21H27N7O14P2 HNADox C(21)H(27)N(7)O(14)P(2)+(0) ref:PC3 18.Feb.08 -532653 -775049 159.88 -2.57 247.56 -40.08 -1.90 324.59 -36.93 6.69 0 NAD-ox C21H26N7O14P2-1 NAD-ox C(21)H(26)N(7)O(14)P(2)-(1) ref:PC3 18.Feb.08 -529458 -775548 147.51 -2.61 247.48 -40.04 -1.90 329.37 -40.94 8.36 -1 R5P C5H11O8P1 R5P C(5)H(11)O(8)P(1)+(0) ref:PC3 18.Feb.08 -390771 -486706 62.46 6.70 69.05 -21.99 -0.08 118.01 -16.23 -0.60 0 R5P- C5H10O8P1-1 R5P- C(5)H(10)O(8)P(1)-(1) ref:PC3 18.Feb.08 -387815 -488605 46.05 4.92 64.70 -20.28 0.10 114.10 -22.45 0.91 -1 R5P2- C5H9O8P1-2 R5P2- C(5)H(9)O(8)P(1)-(2) ref:PC3 18.Feb.08 -377991 -487600 16.48 2.06 57.73 -17.54 0.39 102.80 -32.89 2.96 -2 H4NADPred C21H30N7O17P3 H4NADPred C(21)H(30)N(7)O(17)P(3)+(0) ref:PC3 18.Feb.08 -740540 -1019945 165.88 -23.94 324.31 -24.29 -7.42 308.54 -13.12 4.30 0 H3NADP-red C21H29N7O17P3-1 H3NADP-red C(21)H(29)N(7)O(17)P(3)-(1) ref:PC3 18.Feb.08 -738441 -1021844 152.50 -24.11 323.90 -24.14 -7.40 309.69 -17.48 5.73 -1 H2NADP2-red C21H28N7O17P3-2 H2NADP2-red C(21)H(28)N(7)O(17)P(3)-(2) ref:PC3 18.Feb.08 -735243 -1022343 140.11 -24.14 323.82 -24.10 -7.40 314.35 -21.51 7.64 -2 HNADP3-red C21H27N7O17P3-3 HNADP3-red C(21)H(27)N(7)O(17)P(3)-(3) ref:PC3 18.Feb.08 -732286 -1024242 123.82 -25.92 319.46 -22.39 -7.22 310.40 -27.73 9.08 -3 NADP4-red C21H26N7O17P3-4 NADP4-red C(21)H(26)N(7)O)(17)P(3)-(4) ref:PC3 18.Feb.08 -722462 -1023239 94.25 -28.78 312.49 -19.65 -6.93 299.11 -38.17 11.23 -4 H4NADP+ox C21H29N7O17P3+1 H4NADP+ox C(21)H(29)N(7)O(17)P(3)+(1) ref:PC3 18.Feb.08 -747185 -1011693 184.68 -23.94 324.38 -24.29 -7.42 306.89 -15.99 4.30 1 H3NADPox C21H28N7O17P3 H3NADPox C(21)H(28)N(7)O(17)P(3)+(0) ref:PC3 18.Feb.08 -745088 -1013592 171.28 -24.11 323.97 -24.14 -7.40 308.04 -20.35 5.73 0 H2NADP-ox C21H27N7O17P3-1 H2NADP-ox C(21)H(27)N(7)O(17)P(3)-(1) ref:PC3 18.Feb.08 -741890 -1014091 158.88 -24.14 323.89 -24.10 -7.40 312.67 -24.36 7.64 -1 HNADP2-ox C21H26N7O17P3-2 HNADP2-ox C(21)H(26)N(7)O(17)P(3)-(2) ref:PC3 18.Feb.08 -738930 -1015990 142.62 -25.92 319.53 -22.39 -7.22 308.76 -30.62 9.08 -2 NADP3-ox C21H25N7O17P3-3 NADP3-ox C(21)H(25)N(7)O(17)P(3)-(3) ref:PC3 18.Feb.08 -729109 -1014984 113.02 -28.78 312.56 -19.65 -6.93 297.77 -41.03 11.23 -3 LaF+2,Mgd LaF+2 LaF+2 La(1)F(1)+(2) ref:Mig09 10.Jan.15 -236290. -000000. -28.9 -2.6763 -14.3160 11.3770 -2.1872 42.7211 4.8321 1.5259 2. LaCl+2,Mgd LaCl+2 LaCl+2 La(1)Cl(1)+(2) ref:Mig09 10.Jan.15 -196390. -000000. -27.49 -0.0557 -7.9173 8.8619 -2.4517 17.7012 -3.7964 1.5045 2. LaCl2+,Mgd LaCl2+ LaCl2+ La(1)Cl(2)+(1) ref:Mig09 10.Jan.15 -227450. -000000. -2.02 2.9168 -0.6596 6.0093 -2.7517 6.6097 -4.7029 0.5747 1. CeF+2,Mgd CeF+2 CeF+2 Ce(1)F(1)+(2) ref:Mig09 10.Jan.15 -234190. -000000. -24.92 -3.5448 -16.4364 12.2104 -2.0995 34.4101 2.1345 1.4656 2. CeCl+2,Mgd CeCl+2 CeCl+2 Ce(1)Cl(1)+(2) ref:Mig09 10.Jan.15 -193910. -000000. -18.59 -0.9537 -10.1099 9.7237 -2.3611 2.6518 -8.5997 1.3697 2. CeCl2+,Mgd CeCl2+ CeCl2+ Ce(1)Cl(2)+(1) ref:Mig09 10.Jan.15 -224990. -000000. 9.64 1.9073 -3.1244 6.9781 -2.6498 -21.9709 -14.0772 0.3982 1. PrF+2,Mgd PrF+2 PrF+2 Pr(1)F(1)+(2) ref:Mig09 10.Jan.15 -235200. -000000. -25.400 -3.2382 -15.6879 11.9162 -2.1305 32.1968 1.3417 1.4730 2. PrCl+2,Mgd PrCl+2 PrCl+2 Pr(1)Cl(1)+(2) ref:Mig09 10.Jan.15 -194950. -000000. -22.46 -0.6264 -9.3107 9.4096 -2.3941 12.6813 -5.2997 1.4284 2. PrCl2+,Mgd PrCl2+ PrCl2+ Pr(1)Cl(2)+(1) ref:Mig09 10.Jan.15 -225970. -000000. 1.82 2.2914 -2.1866 6.6095 -2.6886 -2.3592 -7.6362 0.5166 1. NdF+2,Mgd NdF+2 NdF+2 Nd(1)F(1)+(2) ref:Mig09 10.Jan.15 -233150. -000000. -26.48 -3.3812 -16.0371 12.0534 -2.1160 34.2449 2.0023 1.4892 2. NdCl+2,Mgd NdCl+2 NdCl+2 Nd(1)Cl(1)+(2) ref:Mig09 10.Jan.15 -192950. -000000. -24.08 -0.7762 -9.6522 9.5438 -2.3800 9.3305 -6.5423 1.4530 2. NdCl2+,Mgd NdCl2+ NdCl2+ Nd(1)Cl(2)+(1) ref:Mig09 10.Jan.15 -224000. -000000. -1.36 2.1440 -2.5465 6.7509 -2.6737 -8.8885 -10.0582 0.5647 1. SmF+2,Mgd SmF+2 SmF+2 Sm(1)F(1)+(2) ref:Mig09 10.Jan.15 -232090. -000000. -27.08 -3.2108 -15.6210 11.8899 -2.1332 16.6719 -4.1344 1.4983 2. SmCl+2,Mgd SmCl+2 SmCl+2 Sm(1)Cl(1)+(2) ref:Mig09 10.Jan.15 -191390. -000000. -25.64 -0.5918 -9.2262 9.3764 -2.3976 9.4219 -6.5851 1.4765 2. SmCl2+,Mgd SmCl2+ SmCl2+ Sm(1)Cl(2)+(1) ref:Mig09 10.Jan.15 -222430. -000000. -3.21 2.3393 -2.0696 6.5635 -2.6934 -8.8795 -10.1437 0.5927 1. EuF+2,Mgd EuF+2 EuF+2 Eu(1)F(1)+(2) ref:Mig09 10.Jan.15 -210450. -000000. -28.85 -3.0953 -15.3390 11.7791 -2.1449 13.5854 -5.2922 1.5251 2. EuCl+2,Mgd EuCl+2 EuCl+2 Eu(1)Cl(1)+(2) ref:Mig09 10.Jan.15 -169620. -000000. -30.10 -0.4595 -8.9032 9.2495 -2.4109 18.8766 -3.5133 1.5441 2. EuCl2+,Mgd EuCl2+ EuCl2+ Eu(1)Cl(2)+(1) ref:Mig09 10.Jan.15 -200660. -000000. -10.02 2.4959 -1.6871 6.4131 -2.7093 9.3035 -4.1509 0.6958 1. GdF+2,Mgd GdF+2 GdF+2 Gd(1)F(1)+(2) ref:Mig09 10.Jan.15 -231710. -000000. -25.91 -2.9753 -15.0460 11.6639 -2.1570 12.7413 -5.4446 1.4806 2. GdCl+2,Mgd GdCl+2 GdCl+2 Gd(1)Cl(1)+(2) ref:Mig09 10.Jan.15 -190950. -000000. -27.98 -0.3348 -8.5987 9.1298 -2.4235 19.5037 -3.1935 1.5120 2. GdCl2+,Mgd GdCl2+ GdCl2+ Gd(1)Cl(2)+(1) ref:Mig09 10.Jan.15 -221990. -000000. -7.61 2.6340 -1.3499 6.2806 -2.7232 10.7695 -3.5255 0.6593 1. TbF+2,Mgd TbF+2 TbF+2 Tb(1)F(1)+(2) ref:Mig09 10.Jan.15 -232790. -000000. -30.21 -2.9233 -14.9190 11.6140 -2.1622 7.7005 -7.4034 1.5458 2. TbCl+2,Mgd TbCl+2 TbCl+2 Tb(1)Cl(1)+(2) ref:Mig09 10.Jan.15 -191790. -000000. -32.43 -0.2834 -8.4732 9.0804 -2.4287 20.0003 -3.2342 1.5792 2. TbCl2+,Mgd TbCl2+ TbCl2+ Tb(1)Cl(2)+(1) ref:Mig09 10.Jan.15 -222840. -000000. -12.40 2.6916 -1.2094 6.2254 -2.7290 11.1974 -3.6070 0.7319 1. DyF+2,Mgd DyF+2 DyF+2 Dy(1)F(1)+(2) ref:Mig09 10.Jan.15 -232030. -000000. -29.52 -3.0025 -15.1125 11.6900 -2.1543 4.2664 -8.5636 1.5353 2. DyCl+2,Mgd DyCl+2 DyCl+2 Dy(1)Cl(1)+(2) ref:Mig09 10.Jan.15 -191030. -000000. -35.34 -0.3420 -8.6162 9.1367 -2.4228 26.0699 -1.2644 1.6233 2. DyCl2+,Mgd DyCl2+ DyCl2+ Dy(1)Cl(2)+(1) ref:Mig09 10.Jan.15 -222050. -000000. -17.33 2.6363 -1.3444 6.2785 -2.7234 22.9371 0.2368 0.8065 1. HoF+2,Mgd HoF+2 HoF+2 Ho(1)F(1)+(2) ref:Mig09 10.Jan.15 -234580. -000000. -28.53 -3.1464 -15.4638 11.8281 -2.1397 6.6315 -7.6938 1.5203 2. HoCl+2,Mgd HoCl+2 HoCl+2 Ho(1)Cl(1)+(2) ref:Mig09 10.Jan.15 -193750. -000000. -33.16 -0.4913 -8.9808 9.2800 -2.4077 23.6586 -1.9978 1.5903 2. HoCl2+,Mgd HoCl2+ HoCl2+ Ho(1)Cl(2)+(1) ref:Mig09 10.Jan.15 -224770. -000000. -15.26 2.4712 -1.7476 6.4369 -2.7068 18.5635 -1.1932 0.7751 1. ErF+2,Mgd ErF+2 ErF+2 Er(1)F(1)+(2) ref:Mig09 10.Jan.15 -233060. -000000. -32.54 -3.3383 -15.2393 12.0123 -2.1204 5.1506 -8.4013 1.5810 2. ErCl+2,Mgd ErCl+2 ErCl+2 Er(1)Cl(1)+(2) ref:Mig09 10.Jan.15 -192230. -000000. -36.48 -0.6871 -9.4589 9.4679 -2.3880 22.7995 -2.4561 1.6407 2. ErCl2+,Mgd ErCl2+ ErCl2+ Er(1)Cl(2)+(1) ref:Mig09 10.Jan.15 -223270. -000000. -20.65 2.2626 -2.2569 6.6371 -2.6857 16.7094 -2.0874 0.8569 1. TmF+2,Mgd TmF+2 TmF+2 Tm(1)F(1)+(2) ref:Mig09 10.Jan.15 -233080. -000000. -31.84 -3.3423 -15.9420 12.0161 -2.1200 2.8337 -9.1731 1.5705 2. TmCl+2,Mgd TmCl+2 TmCl+2 Tm(1)Cl(1)+(2) ref:Mig09 10.Jan.15 -192250. -000000. -40.31 -0.6665 -9.4087 9.4482 -2.3900 23.3346 -2.4541 1.6987 2. TmCl2+,Mgd TmCl2+ TmCl2+ Tm(1)Cl(2)+(1) ref:Mig09 10.Jan.15 -223290. -000000. -20.20 2.2586 -2.2666 6.6409 -2.6853 16.6521 -2.0854 0.8500 1. YbF+2,Mgd YbF+2 YbF+2 Yb(1)F(1)+(2) ref:Mig09 10.Jan.15 -226300. -000000. -30.41 -3.5804 -16.5233 12.2446 -2.0959 -1.0405 -10.4509 1.5488 2. YbCl+2,Mgd YbCl+2 YbCl+2 Yb(1)Cl(1)+(2) ref:Mig09 10.Jan.15 -185320. -000000. -40.04 -0.8966 -9.9705 9.6690 -2.3668 20.5306 -3.4155 1.6945 2. YbCl2+,Mgd YbCl2+ YbCl2+ Yb(1)Cl(2)+(1) ref:Mig09 10.Jan.15 -216360. -000000. -19.22 1.9985 -2.9017 6.8906 -2.6590 11.1191 -3.9614 0.8351 1. LuF+2,Mgd LuF+2 LuF+2 Lu(1)F(1)+(2) ref:Mig09 10.Jan.15 -232530. -000000. -36.16 -3.6241 -16.6301 12.2865 -2.0915 1.8202 -9.7329 1.6359 2. LuCl+2,Mgd LuCl+2 LuCl+2 Lu(1)Cl(1)+(2) ref:Mig09 10.Jan.15 -191690. -000000. -50.13 -0.9155 -10.0167 9.6871 -2.3649 26.6715 -1.7655 1.8473 2. LuCl2+,Mgd LuCl2+ LuCl2+ Lu(1)Cl(2)+(1) ref:Mig09 10.Jan.15 -222750. -000000. -30.31 1.9757 -2.9572 6.9124 -2.6567 21.9175 -0.7409 1.0031 1. 201 minerals that do not undergo phase transition (nmin1) 33 minerals that undergo one phase transition (nmin2) 21 minerals that undergo two phase transitions (nmin3) 2 minerals that undergo three phase transitions (nmin4) 24 gases (ngas) 1784 aqueous species (naqs) ---- ---------------------------- 1936 total 327 comment lines precede top of min1 block