-
1
-
-
0000036453
-
Structure and bonding of solvated mercury(II) and thallium(III) dihalide and dicyanide complexes by XAFS spectroscopic measurements and theoretical calculations
-
Akesson R, Persson I, Sandstrom M, Wahlgren U (1994) Structure and bonding of solvated mercury(II) and thallium(III) dihalide and dicyanide complexes by XAFS spectroscopic measurements and theoretical calculations. Inorg Chem 33:3715-3723
-
(1994)
Inorg Chem
, vol.33
, pp. 3715-3723
-
-
Akesson, R.1
Persson, I.2
Sandstrom, M.3
Wahlgren, U.4
-
3
-
-
0343034187
-
Raman spectra of tetrahalo-anions of FeIII, MnIII, FeIII, CuII and ZnII
-
Avery JS, Burbridge CD, Goodgame, DML (1968) Raman spectra of tetrahalo-anions of FeIII, MnIII, FeIII, CuII and ZnII. Spectrochim Acta 24A:1721-1726
-
(1968)
Spectrochim Acta
, vol.24
, pp. 1721-1726
-
-
Avery, J.S.1
Burbridge, C.D.2
Goodgame, D.M.L.3
-
4
-
-
0022217780
-
Structure and specification of iron complexes in aqueous-solutions determined by x-ray absorption-spectroscopy
-
Apted MJ, Waychunas GA, Brown GE (1985) Structure and specification of iron complexes in aqueous-solutions determined by x-ray absorption-spectroscopy Geochim Cosmochim Acta 49:2081-2089
-
(1985)
Geochim Cosmochim Acta
, vol.49
, pp. 2081-2089
-
-
Apted, M.J.1
Waychunas, G.A.2
Brown, G.E.3
-
5
-
-
0344796204
-
Ion-water interaction potentials from free energy perturbation simulations
-
Aqvist J (1990) Ion-water interaction potentials from free energy perturbation simulations. J Phys Chem 94:8021-8024
-
(1990)
J Phys Chem
, vol.94
, pp. 8021-8024
-
-
Aqvist, J.1
-
7
-
-
4243553426
-
Density-functional exchange-energy approximation with correct asymptotic-behavior
-
Becke AD (1988) Density-functional exchange-energy approximation with correct asymptotic-behavior. Phys Rev A38:3098-3100
-
(1988)
Phys Rev
, vol.A38
, pp. 3098-3100
-
-
Becke, A.D.1
-
8
-
-
34250817103
-
A new mixing of Hartree-Fock and local density-functional theories
-
Becke AD (1993) a new mixing of Hartree-Fock and local density-functional theories. J Chem Phys. 98:1372-1377
-
(1993)
J Chem Phys.
, vol.98
, pp. 1372-1377
-
-
Becke, A.D.1
-
9
-
-
33845515225
-
A Raman spectroscopic study of the equilibria in aqueous solutions of Hg(II) chloride
-
Bentham PB, Romak CG, Shurvell HF (1985) A Raman spectroscopic study of the equilibria in aqueous solutions of Hg(II) chloride. Can J Chem 63:2303-2307
-
(1985)
Can J Chem
, vol.63
, pp. 2303-2307
-
-
Bentham, P.B.1
Romak, C.G.2
Shurvell, H.F.3
-
10
-
-
0042094975
-
2+ in water and ammonia: Insight from static and dynamical density functional theory
-
2+ in water and ammonia: insight from static and dynamical density functional theory. J Phys Chem 103:9693-9701
-
(1999)
J Phys Chem
, vol.103
, pp. 9693-9701
-
-
Berces, A.1
Nukada, T.2
Margl, P.3
Ziegler, T.4
-
12
-
-
33845521254
-
Three-co-ordinate mercury: Crystal structure and spectroscopic properties of trimethylsulphonium trichloromercurate (II)
-
Biscarini P, Fusina L, Nivellini G, Pelizzi G (1977) Three-co-ordinate mercury: Crystal structure and spectroscopic properties of trimethylsulphonium trichloromercurate (II). J Chem Soc. Dalton Trans 663-668
-
(1977)
J Chem Soc. Dalton Trans
, pp. 663-668
-
-
Biscarini, P.1
Fusina, L.2
Nivellini, G.3
Pelizzi, G.4
-
13
-
-
0041039647
-
Structure of aqueous copper chloride solutions-results from monte-carlo simulations at various concentrations
-
Bode BM, Islam SM (1992) Structure of aqueous copper chloride solutions-results from monte-carlo simulations at various concentrations. J Chem Soc-Faraday Trans 88:417-422
-
(1992)
J Chem Soc-Faraday Trans
, vol.88
, pp. 417-422
-
-
Bode, B.M.1
Islam, S.M.2
-
14
-
-
0011493669
-
An improved potential for non-rigid water-molecules in the liquid-phase
-
Bopp P, Jancso G, Heinzinger K (1983) An improved potential for non-rigid water-molecules in the liquid-phase. Chem Phys Lett 98:129-133
-
(1983)
Chem Phys Lett
, vol.98
, pp. 129-133
-
-
Bopp, P.1
Jancso, G.2
Heinzinger, K.3
-
15
-
-
34250928962
-
Volumen und hydationswarme der ionen
-
Born M (1920) Volumen und hydationswarme der ionen. Zeit Physik 1:45-48
-
(1920)
Zeit Physik
, vol.1
, pp. 45-48
-
-
Born, M.1
-
16
-
-
33845521601
-
Photoreduction of carbon-dioxide by aqueous ferrous ion - An alternative to the strongly reducing atmosphere for the chemical origin of life
-
Borowska Z, Mauzerall D (1988) Photoreduction of carbon-dioxide by aqueous ferrous ion - An alternative to the strongly reducing atmosphere for the chemical origin of life. P. Natl. Acad. Sci. USA 85:6577-6580
-
(1988)
P. Natl. Acad. Sci. USA
, vol.85
, pp. 6577-6580
-
-
Borowska, Z.1
Mauzerall, D.2
-
17
-
-
0023451566
-
Ore solution chemistry. VII. Stabilities of chloride and bisulfide complexes of zinc to 350°C
-
Bourcier WL, Barnes HL (1987) Ore solution chemistry. VII. Stabilities of chloride and bisulfide complexes of zinc to 350°C. Econ Geol 82:1839-1863
-
(1987)
Econ Geol
, vol.82
, pp. 1839-1863
-
-
Bourcier, W.L.1
Barnes, H.L.2
-
20
-
-
37049094521
-
Photo-oxidation of Iron(II) in water between pH 7.5 and 4.0
-
Braterman PS, Cairns-Smith AG, Sloper RW, Truscott TG, Craw M (1984) Photo-oxidation of Iron(II) in water between pH 7.5 and 4.0. J Chem Soc-Dalton Trans 7:1441-1445
-
(1984)
J Chem Soc-Dalton Trans
, vol.7
, pp. 1441-1445
-
-
Braterman, P.S.1
Cairns-Smith, A.G.2
Sloper, R.W.3
Truscott, T.G.4
Craw, M.5
-
21
-
-
0010969807
-
Molecular dynamics simulations of aqueous NaCl solutions at high pressures and temperatures
-
Brodholt JP (1998) Molecular dynamics simulations of aqueous NaCl solutions at high pressures and temperatures. Chem Geol 151:11-19
-
(1998)
Chem Geol
, vol.151
, pp. 11-19
-
-
Brodholt, J.P.1
-
22
-
-
0000209133
-
Spectroscopic studies of chemisorption reaction mechanisms at oxide/water interfaces
-
Hochella MF, White AF (eds)
-
Brown GE Jr (1990) Spectroscopic studies of chemisorption reaction mechanisms at oxide/water interfaces. In: Mineral-Water Interface Geochemistry. Hochella MF, White AF (eds), 23:309-63
-
(1990)
Mineral-Water Interface Geochemistry
, vol.23
, pp. 309-363
-
-
Brown Jr., G.E.1
-
23
-
-
0000773710
-
Sorption at mineral-water interfaces: Macroscopic and microscopic perspectives
-
Vaughan DJ, Patrick RAD (eds)
-
Brown GE Jr, Parks GA, O'Day PA (1995) Sorption at mineral-water interfaces: macroscopic and microscopic perspectives. In: Mineral Surfaces. Vaughan DJ, Patrick RAD (eds), 5:129-184
-
(1995)
Mineral Surfaces
, vol.5
, pp. 129-184
-
-
Brown Jr., G.E.1
Parks, G.A.2
O'Day, P.A.3
-
27
-
-
4243606192
-
Unified approach for molecular dynamics and density functional theory
-
Car R, Parrinello M (1985) Unified approach for molecular dynamics and density functional theory. Phys Rev Lett 55:2471-2474
-
(1985)
Phys Rev Lett
, vol.55
, pp. 2471-2474
-
-
Car, R.1
Parrinello, M.2
-
29
-
-
0343952823
-
-
Ph.D Dissertation, University of Bristol, Bristol UK
-
Collins CR (1997) The chemistry and structures of surface complexes of Cd, Sr, Hg, and Zn on goethite. Ph.D Dissertation, University of Bristol, Bristol UK
-
(1997)
The Chemistry and Structures of Surface Complexes of Cd, Sr, Hg, and Zn on Goethite
-
-
Collins, C.R.1
-
33
-
-
0034039694
-
2+ in oxidized NaCl brines from 25°C to 175°C: Results from in situ EXAFS spectroscopy
-
2+ in oxidized NaCl brines from 25°C to 175°C: results from in situ EXAFS spectroscopy. Chem Geol 167:65-73
-
(2000)
Chem Geol
, vol.167
, pp. 65-73
-
-
Collings, M.D.1
Sherman, D.M.2
Ragnarsdottir, K.V.3
-
34
-
-
33845534212
-
Ion association in concentrated NaCl brines: Results from molecular dynamics simulations
-
submitted
-
Collings MD, Sherman DM (2001) Ion association in concentrated NaCl brines: results from molecular dynamics simulations. Geochim Cosmochim Acta (submitted)
-
(2001)
Geochim Cosmochim Acta
-
-
Collings, M.D.1
Sherman, D.M.2
-
37
-
-
0000574175
-
Non-additivity of ab intio pair potentials for molecular dynamics of multivalent transition metals in water
-
Curtiss LA, Halley JW, Hautman J, Rahman A (1987) Non-additivity of ab intio pair potentials for molecular dynamics of multivalent transition metals in water. J Chem Phys 86:2319
-
(1987)
J Chem Phys
, vol.86
, pp. 2319
-
-
Curtiss, L.A.1
Halley, J.W.2
Hautman, J.3
Rahman, A.4
-
38
-
-
0031213180
-
Structural investigation of copper(II) chloride solutions using X-ray absorption spectroscopy
-
D'Angelo P, Bottari E, Festa MR, Nolting HF Pavel NV (1997) Structural investigation of copper(II) chloride solutions using X-ray absorption spectroscopy. J Chem Phys 107:2807-2812
-
(1997)
J Chem Phys
, vol.107
, pp. 2807-2812
-
-
D'Angelo, P.1
Bottari, E.2
Festa, M.R.3
Nolting, H.F.4
Pavel, N.V.5
-
41
-
-
0032408367
-
Molecular dynamics simulation study of ionic hydration and ion association in dilute and 1 molal aqueous sodium chloride solutions from ambient to supercritical conditions
-
Driesner T, Seward TM, Tironi IG (1998) Molecular dynamics simulation study of ionic hydration and ion association in dilute and 1 molal aqueous sodium chloride solutions from ambient to supercritical conditions. Geochim Cosmochim Acta, 62:3095-3107
-
(1998)
Geochim Cosmochim Acta
, vol.62
, pp. 3095-3107
-
-
Driesner, T.1
Seward, T.M.2
Tironi, I.G.3
-
42
-
-
0001275675
-
Chemical effects in diffusion and structure of zinc chloride in aqueous solution
-
Easteal AJ, Giaquinta PV, March NH, Tosi MP (1983) Chemical effects in diffusion and structure of zinc chloride in aqueous solution. Chem Phys 76:125-128
-
(1983)
Chem Phys
, vol.76
, pp. 125-128
-
-
Easteal, A.J.1
Giaquinta, P.V.2
March, N.H.3
Tosi, M.P.4
-
43
-
-
0000969244
-
The structure of electrolyte solutions
-
Enderby JE, Neilson GW (1983) The structure of electrolyte solutions. Rept Prog Phys 44:593-653
-
(1983)
Rept Prog Phys
, vol.44
, pp. 593-653
-
-
Enderby, J.E.1
Neilson, G.W.2
-
44
-
-
0027505708
-
Local environment around gold(III) in aqueous chloride solutions: An EXAFS spectroscopy study
-
Farges F, Sharps JA, and Brown GE (1993) Local environment around gold(III) in aqueous chloride solutions: an EXAFS spectroscopy study. Geochim. Cosmochim. Acta 57:1243-1252
-
(1993)
Geochim. Cosmochim. Acta
, vol.57
, pp. 1243-1252
-
-
Farges, F.1
Sharps, J.A.2
Brown, G.E.3
-
45
-
-
0001714511
-
2O)n clusters, M = Cu, Ag, Au
-
2O)n clusters, M = Cu, Ag, Au. J Chem Phys 110:1475-1491
-
(1999)
J Chem Phys
, vol.110
, pp. 1475-1491
-
-
Feller, D.1
Glendening, E.D.2
De Jong, W.A.3
-
46
-
-
0000298164
-
An X-ray absorption fine structure study of copper(I) chloride coordination structure in water up to 325 degrees C
-
Fulton JL, Hoffmann MM, Darab JG (2000) An X-ray absorption fine structure study of copper(I) chloride coordination structure in water up to 325 degrees C. Chem Phys Lett 330:300-308
-
(2000)
Chem Phys Lett
, vol.330
, pp. 300-308
-
-
Fulton, J.L.1
Hoffmann, M.M.2
Darab, J.G.3
-
47
-
-
0000871934
-
Matrix isolation infrared and Raman spectra of binary and mixed zinc dihalides, isotopic effects, force constants, and thermodynamic properties
-
Givan A, Loewenschuss (1978) Matrix isolation infrared and Raman spectra of binary and mixed zinc dihalides, isotopic effects, force constants, and thermodynamic properties. J Chem Phys 68:2228-2242
-
(1978)
J Chem Phys
, vol.68
, pp. 2228-2242
-
-
Givan, A.1
Loewenschuss2
-
48
-
-
0030103521
-
n clusters for alkali earth metals M=Mg, Ca, Sr, Ba and Ra
-
n clusters for alkali earth metals M=Mg, Ca, Sr, Ba and Ra. J Phys Chem 100:4790-4797
-
(1996)
J Phys Chem
, vol.100
, pp. 4790-4797
-
-
Glendening, E.D.1
Feller, D.2
-
49
-
-
33845539351
-
Infrared and Raman spectra of di-halogeno-bis[dihalogenocadmate(II)] anions
-
Goggin PL, Goodfellow RJ, Kessler K (1977) Infrared and Raman spectra of di-(-halogeno-bis[dihalogenocadmate(II)] anions. J Chem Soc, Dalton Transactions 1977:1914-1915
-
(1977)
J Chem Soc, Dalton Transactions
, vol.1977
, pp. 1914-1915
-
-
Goggin, P.L.1
Goodfellow, R.J.2
Kessler, K.3
-
50
-
-
0025215410
-
1- complexes of cadmium and mercury-structural similarities between mercury-cysteine and cadmium - Cysteine coordination centers
-
1- complexes of cadmium and mercury-structural similarities between mercury-cysteine and cadmium - cysteine coordination centers. J Am Chem Soc 112:1245-1247
-
(1990)
J Am Chem Soc
, vol.112
, pp. 1245-1247
-
-
Gruff, E.S.1
Koch, S.A.2
-
51
-
-
0024848116
-
1- complex - A possible new coordination mode for zinc cysteine centers
-
1- complex - A possible new coordination mode for zinc cysteine centers. J Am Chem Soc 111:8762-8763
-
(1989)
J Am Chem Soc
, vol.111
, pp. 8762-8763
-
-
Gruff, E.S.1
Koch, S.A.2
-
52
-
-
36449003662
-
A computer simulation study of the liquid-vapour coexistence curve of water
-
Guissani Y, Guillot B (1993) A computer simulation study of the liquid-vapour coexistence curve of water. J Chem Phys 98:8221-8235
-
(1993)
J Chem Phys
, vol.98
, pp. 8221-8235
-
-
Guissani, Y.1
Guillot, B.2
-
55
-
-
0038762280
-
3+: A comparison of UHF, Moller-Plesset, nonlocal DFT, and semiempirical INDO/S calculations
-
3+: A comparison of UHF, Moller-Plesset, nonlocal DFT, and semiempirical INDO/S calculations. J Phys Chem A 101:3959-3965
-
(1997)
J Phys Chem A
, vol.101
, pp. 3959-3965
-
-
Harris, D.1
Loew, G.H.2
Komornicki, A.3
-
57
-
-
0000560567
-
Molecular-structures of zinc dichloride, zinc dibromide, and zinc diiodide from electron-diffraction reinvestigation
-
Hargittai M, Tremmel J, Hargittai I (1986) Molecular-structures of zinc dichloride, zinc dibromide, and zinc diiodide from electron-diffraction reinvestigation. Inorg Chem 25:3163-3166
-
(1986)
Inorg Chem
, vol.25
, pp. 3163-3166
-
-
Hargittai, M.1
Tremmel, J.2
Hargittai, I.3
-
58
-
-
0030982381
-
Hydration and water exchange of zinc(II) ions. Application of density functional theory
-
Hartmann M, Clark T, vanEldik R (1997) Hydration and water exchange of zinc(II) ions. Application of density functional theory. J Am Chem Soc 119:7843-7850
-
(1997)
J Am Chem Soc
, vol.119
, pp. 7843-7850
-
-
Hartmann, M.1
Clark, T.2
VanEldik, R.3
-
59
-
-
0025243036
-
Solubility of sphalerite in aqueous sulfide solutions at temperatures between 25 and 240°C
-
Hayashi K, Sugaki A, Kitakaze A (1990) Solubility of sphalerite in aqueous sulfide solutions at temperatures between 25 and 240°C. Geochim Cosmochim Acta 54:715-725
-
(1990)
Geochim Cosmochim Acta
, vol.54
, pp. 715-725
-
-
Hayashi, K.1
Sugaki, A.2
Kitakaze, A.3
-
61
-
-
0019679939
-
Theoretical prediction of the thermodynamics behavior of aqueous electrolytes at high pressures and temperatures IV. Calculation of activity coefficients, osmotic coefficients, and apparent molal and standard and relative partial molal properties to 600°C and 5 kbar
-
Helgeson HC, Kirkham DH, Flowers GC (1981) Theoretical prediction of the thermodynamics behavior of aqueous electrolytes at high pressures and temperatures IV. Calculation of activity coefficients, osmotic coefficients, and apparent molal and standard and relative partial molal properties to 600°C and 5 kbar. Am J Sci 281:1249-1516
-
(1981)
Am J Sci
, vol.281
, pp. 1249-1516
-
-
Helgeson, H.C.1
Kirkham, D.H.2
Flowers, G.C.3
-
62
-
-
0027455818
-
Multinuclearity of aqueous copper and zinc bisulfide complexes: And EXAFS investigation
-
Heiz GR, Vaughan DJ, Garner CD (1992) Multinuclearity of aqueous copper and zinc bisulfide complexes: and EXAFS investigation. Geochim Cosmochim Acta 57:15-25
-
(1992)
Geochim Cosmochim Acta
, vol.57
, pp. 15-25
-
-
Heiz, G.R.1
Vaughan, D.J.2
Garner, C.D.3
-
64
-
-
0003697451
-
-
Pacific Northwest National Laboratory, Richland, Washington 99352, USA
-
High Performance Computational Chemistry Group (2001) NWChem, A Computational Chemistry Package for Parallel Computers, Version 4.0.1, Pacific Northwest National Laboratory, Richland, Washington 99352, USA
-
(2001)
NWChem, a Computational Chemistry Package for Parallel Computers, Version 4.0.1
-
-
-
66
-
-
0344847996
-
Vibrational Spectra of molten halides of mercury. II. Trichloro- and tetrachloromercurate ions
-
Janz GJ, James DW (1963) Vibrational Spectra of molten halides of mercury. II. Trichloro- and tetrachloromercurate ions. J Chem Phys 38:905-909
-
(1963)
J Chem Phys
, vol.38
, pp. 905-909
-
-
Janz, G.J.1
James, D.W.2
-
67
-
-
0003776256
-
-
Cambridge University Press, London
-
nd ed., Cambridge University Press, London
-
(1982)
nd Ed.
-
-
Johnson, D.A.1
-
68
-
-
0027007073
-
SUPCRT92: A software package for calculating the standard molal thermodynamic properties of minerals, gases, aqueous species, and reactions from 1 to 5000 bars and 0° to 1000°C
-
Johnson JW, Oelkers EH, Helgeson HC (1992) SUPCRT92: A software package for calculating the standard molal thermodynamic properties of minerals, gases, aqueous species, and reactions from 1 to 5000 bars and 0° to 1000°C. Comp Geosci 18:899-947
-
(1992)
Comp Geosci
, vol.18
, pp. 899-947
-
-
Johnson, J.W.1
Oelkers, E.H.2
Helgeson, H.C.3
-
69
-
-
36749117884
-
Revised TIPS model for simulations of liquid water and aqueous solutions
-
Jorgensen WL (1982) Revised TIPS model for simulations of liquid water and aqueous solutions. J Chem Phys 77:4156-63
-
(1982)
J Chem Phys
, vol.77
, pp. 4156-4163
-
-
Jorgensen, W.L.1
-
70
-
-
0004016501
-
Comparison of simple functions for simulating water
-
Jorgensen WL, Chandrasekhar J, Madura JD, Impey RW, Klein ML (1983) Comparison of simple functions for simulating water. J Chem Phys 79:926-935
-
(1983)
J Chem Phys
, vol.79
, pp. 926-935
-
-
Jorgensen, W.L.1
Chandrasekhar, J.2
Madura, J.D.3
Impey, R.W.4
Klein, M.L.5
-
71
-
-
0009622504
-
Electron diffraction investigation of gaseous mercury(II) chloride
-
Kashiwabara K, Konaka S, Kimura M (1973) Electron diffraction investigation of gaseous mercury(II) chloride. Bull Chem Soc Jap 46:410-413
-
(1973)
Bull Chem Soc Jap
, vol.46
, pp. 410-413
-
-
Kashiwabara, K.1
Konaka, S.2
Kimura, M.3
-
72
-
-
84961980743
-
COSMO: A new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient
-
Klamt A, Schürmann G (1993) COSMO: A new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient. J Chem Soc: Perkin Transactions 2:799-805
-
(1993)
J Chem Soc: Perkin Transactions
, vol.2
, pp. 799-805
-
-
Klamt, A.1
Schürmann, G.2
-
73
-
-
33751157086
-
Conductor-like screening model for real solvents: A new approach to the quantitative calculation of solvation phenomena
-
Klamt A (1995) Conductor-like screening model for real solvents: A new approach to the quantitative calculation of solvation phenomena. J Phys Chem 99:2224-2235
-
(1995)
J Phys Chem
, vol.99
, pp. 2224-2235
-
-
Klamt, A.1
-
74
-
-
0030575967
-
Treatment of the outlying charge in continuum solvation models
-
Klamt A, Jones V (1996) Treatment of the outlying charge in continuum solvation models. J Chem Phys 105:9972-9981
-
(1996)
J Chem Phys
, vol.105
, pp. 9972-9981
-
-
Klamt, A.1
Jones, V.2
-
75
-
-
0001324374
-
Solvent structure, dynamics, and ion mobility in aqueous solutions at 25°C
-
Koneshan S, Rasaiah JC, Lynden-Bell RM, Lee SH (1998) Solvent structure, dynamics, and ion mobility in aqueous solutions at 25°C. J Phys Chem B 102:4193-4204
-
(1998)
J Phys Chem B
, vol.102
, pp. 4193-4204
-
-
Koneshan, S.1
Rasaiah, J.C.2
Lynden-Bell, R.M.3
Lee, S.H.4
-
76
-
-
84963210534
-
An X-ray diffraction study of aqueous zinc chloride solutions
-
Kruh RF, Stanley CL (1962) An X-ray diffraction study of aqueous zinc chloride solutions. Inorg Chem, 1:941-943
-
(1962)
Inorg Chem
, vol.1
, pp. 941-943
-
-
Kruh, R.F.1
Stanley, C.L.2
-
77
-
-
0024258240
-
Solubility of stibnite in hydrogen-sulfide solutions, speciation, and equilibrium-constants, from 25 to 350-degrees-C
-
Krupp RE (1988) solubility of stibnite in hydrogen-sulfide solutions, speciation, and equilibrium-constants, from 25 to 350-degrees-C. Geochim Cosmochim Acta 52:3005-3015
-
(1988)
Geochim Cosmochim Acta
, vol.52
, pp. 3005-3015
-
-
Krupp, R.E.1
-
79
-
-
0345491105
-
Development of the Colle-Salvetti correlation energy formula into a functional of the electron density
-
Lee CT, Yang WT, Parr RG (1988) Development of the Colle-Salvetti correlation energy formula into a functional of the electron density. Phys Rev B 37:785
-
(1988)
Phys Rev B
, vol.37
, pp. 785
-
-
Lee, C.T.1
Yang, W.T.2
Parr, R.G.3
-
81
-
-
84962463451
-
Calculation of redox potentials and pKa values of hydrated transition metal cations by a combined density functional and continuum dielectric theory
-
Li J, Fisher CL, Chen JL, Bashford D, Noodleman L (1996) Calculation of redox potentials and pKa values of hydrated transition metal cations by a combined density functional and continuum dielectric theory. Inorg Chem 35:4694-4702
-
(1996)
Inorg Chem
, vol.35
, pp. 4694-4702
-
-
Li, J.1
Fisher, C.L.2
Chen, J.L.3
Bashford, D.4
Noodleman, L.5
-
82
-
-
0040860639
-
The investigation by electron diffraction of some dihalides of cadmium, tin and lead
-
Lister MW, Sutton LE (1941) The investigation by electron diffraction of some dihalides of cadmium, tin and lead. Trans Faraday Soc 1941:406-409
-
(1941)
Trans Faraday Soc
, vol.1941
, pp. 406-409
-
-
Lister, M.W.1
Sutton, L.E.2
-
83
-
-
33845524477
-
Vibrational spectra of group IIB halides: The halides of cadmium and mercury
-
Loewenschuss A, Ron A, Schnepp O (1969) Vibrational spectra of group IIB halides: The halides of cadmium and mercury. J Chem Phys 50:2503-2512
-
(1969)
J Chem Phys
, vol.50
, pp. 2503-2512
-
-
Loewenschuss, A.1
Ron, A.2
Schnepp, O.3
-
84
-
-
33748907734
-
Concentration effects in aqueous NaCl solutions: A molecular dynamics simulation
-
Lyubartsev AP, Laaksonen A (1996) Concentration effects in aqueous NaCl solutions: A molecular dynamics simulation. J Phys Chem 100:16410-16418
-
(1996)
J Phys Chem
, vol.100
, pp. 16410-16418
-
-
Lyubartsev, A.P.1
Laaksonen, A.2
-
85
-
-
0042143691
-
Monte Carlo simulations of Zn(II) in water including three-body effects
-
Marini GW, Texler NR, Rode BM (1996) Monte Carlo simulations of Zn(II) in water including three-body effects. J Phys Chem-US 100:6808-6813
-
(1996)
J Phys Chem-US
, vol.100
, pp. 6808-6813
-
-
Marini, G.W.1
Texler, N.R.2
Rode, B.M.3
-
86
-
-
0000263598
-
2+ hydration and the Jahn-Teller effect in solution by QM/MM Monte Carlo simulations
-
2+ hydration and the Jahn-Teller effect in solution by QM/MM Monte Carlo simulations. J Phys Chem A 103:11387-11393
-
(1999)
J Phys Chem A
, vol.103
, pp. 11387-11393
-
-
Marini, G.W.1
Liedl, K.R.2
Rode, B.M.3
-
87
-
-
0001053827
-
Hydrolysis of ferric ion in water and conformational equilibrium
-
Martin RL, Hay PJ, Pratt LR (1998) Hydrolysis of ferric ion in water and conformational equilibrium. J Phys Chem 102:3565-3573
-
(1998)
J Phys Chem
, vol.102
, pp. 3565-3573
-
-
Martin, R.L.1
Hay, P.J.2
Pratt, L.R.3
-
88
-
-
0041430067
-
Study of the Ag+ hydration by means of a semicontinuum quantum-chemical solvation model
-
Martinez JM, Pappalardo RR, Marcos ES (1997) Study of the Ag+ hydration by means of a semicontinuum quantum-chemical solvation model. J Phys Chem A 101:4444-4448
-
(1997)
J Phys Chem A
, vol.101
, pp. 4444-4448
-
-
Martinez, J.M.1
Pappalardo, R.R.2
Marcos, E.S.3
-
89
-
-
0008025420
-
Cl study of the water dimer potential surface
-
Matsuoka O, Clementi E, Yoshimine M (1976) Cl study of the water dimer potential surface. J Chem Phys 64:1351-1361
-
(1976)
J Chem Phys
, vol.64
, pp. 1351-1361
-
-
Matsuoka, O.1
Clementi, E.2
Yoshimine, M.3
-
90
-
-
0033457525
-
XAFS measurements on zinc chloride aqueous solutions from ambient to supercritical conditions using the diamond anvil cell
-
Mayanovic RA, Anderson AJ, Bassett WA, Chou IM (1999) XAFS measurements on zinc chloride aqueous solutions from ambient to supercritical conditions using the diamond anvil cell. J Synch Rad 6:195-197
-
(1999)
J Synch Rad
, vol.6
, pp. 195-197
-
-
Mayanovic, R.A.1
Anderson, A.J.2
Bassett, W.A.3
Chou, I.M.4
-
92
-
-
0001643393
-
Zinc chloride and zinc bromide complexes - III. Structures of species in solution
-
Morris DFC, Short EL, Waters DN (1963) Zinc chloride and zinc bromide complexes - III. Structures of species in solution. J Inorg Nucl Chem 25:975-983
-
(1963)
J Inorg Nucl Chem
, vol.25
, pp. 975-983
-
-
Morris, D.F.C.1
Short, E.L.2
Waters, D.N.3
-
93
-
-
0029730271
-
X-ray absorption studies of metal complexes in aqueous solution at elevated temperatures
-
Mosselmans JFW, Schofield PF, Charnock JM, Garner CD, Pattrick RAD, and Vaughan DJ (1996) X-ray absorption studies of metal complexes in aqueous solution at elevated temperatures. Chem Geol 127:339-350
-
(1996)
Chem Geol
, vol.127
, pp. 339-350
-
-
Mosselmans, J.F.W.1
Schofield, P.F.2
Charnock, J.M.3
Garner, C.D.4
Pattrick, R.A.D.5
Vaughan, D.J.6
-
94
-
-
0032468226
-
Raman spectroscopy of gold chloro-hydroxy speciation in fluids at ambiant temperature and pressure: A re-evaluation of the effects of pH and chloride complexation
-
Murphy PJ, LaGrange MS (1998) Raman spectroscopy of gold chloro-hydroxy speciation in fluids at ambiant temperature and pressure: A re-evaluation of the effects of pH and chloride complexation. Geochim Cosmochim Acta 62:3515-3526
-
(1998)
Geochim Cosmochim Acta
, vol.62
, pp. 3515-3526
-
-
Murphy, P.J.1
LaGrange, M.S.2
-
95
-
-
0027385217
-
Calculation of dissociation constants and the relative stabilities of polynuclear clusters in 1:1 electrolytes in hydrothermal solutions at supercritical pressures and temperatures
-
Oelkers EH, Helgeson HC (1993) Calculation of dissociation constants and the relative stabilities of polynuclear clusters in 1:1 electrolytes in hydrothermal solutions at supercritical pressures and temperatures. Geochim Cosmochim Acta 57:2673-2697
-
(1993)
Geochim Cosmochim Acta
, vol.57
, pp. 2673-2697
-
-
Oelkers, E.H.1
Helgeson, H.C.2
-
96
-
-
0002087580
-
An EXAFS spectroscopic study of aqueous antimony(III)-chloride complexation at temperatures from 25 to 250°C
-
Oelkers EH, Sherman DM, Ragnarsdottir KV, Collins CR (1998) An EXAFS spectroscopic study of aqueous antimony(III)-chloride complexation at temperatures from 25 to 250°C. Chem Geol 151:21-27
-
(1998)
Chem Geol
, vol.151
, pp. 21-27
-
-
Oelkers, E.H.1
Sherman, D.M.2
Ragnarsdottir, K.V.3
Collins, C.R.4
-
97
-
-
0000783954
-
X-ray diffraction studies of cadmium perchlorate and sodium tetraiodocadmate
-
Ohtaki H, Maeda M, Ito S (1974) X-ray diffraction studies of cadmium perchlorate and sodium tetraiodocadmate. Bull Chem Soc Jap 47:2217-2221
-
(1974)
Bull Chem Soc Jap
, vol.47
, pp. 2217-2221
-
-
Ohtaki, H.1
Maeda, M.2
Ito, S.3
-
98
-
-
0000179594
-
X-ray diffraction studies of the structures of hydrated divalent transition metal ions in aqueous solution
-
Ohtaki H, Yamaguchi T, Maeda M (1976) X-ray diffraction studies of the structures of hydrated divalent transition metal ions in aqueous solution. Bull Chem Soc Jap 49:701-708
-
(1976)
Bull Chem Soc Jap
, vol.49
, pp. 701-708
-
-
Ohtaki, H.1
Yamaguchi, T.2
Maeda, M.3
-
99
-
-
0030217540
-
Direct modeling of EXAFS spectra from molecular dynamics simulations
-
Palmer BJ, Pfund DM, Fulton JL (1996) Direct modeling of EXAFS spectra from molecular dynamics simulations. J Phys Chem 32:13393-13398
-
(1996)
J Phys Chem
, vol.32
, pp. 13393-13398
-
-
Palmer, B.J.1
Pfund, D.M.2
Fulton, J.L.3
-
100
-
-
0026268324
-
Gold-chloride complexes in very acidic aqueous-solutions and at temperatures 25-300°C - A laser raman-spectroscopic study
-
Pan P, Wood SA (1991) Gold-chloride complexes in very acidic aqueous-solutions and at temperatures 25-300°C - a laser raman-spectroscopic study. Geochim Cosmochim Acta 55:2365-2371
-
(1991)
Geochim Cosmochim Acta
, vol.55
, pp. 2365-2371
-
-
Pan, P.1
Wood, S.A.2
-
101
-
-
0030572370
-
Speciation in aqueous zinc-chloride an ab-initio hybrid microsolvation continuum approach
-
Parchment OG, Vincent MA, and Hillier IH (1996) Speciation in aqueous zinc-chloride an ab-initio hybrid microsolvation continuum approach. J Phys Chem 100:9689-9693
-
(1996)
J Phys Chem
, vol.100
, pp. 9689-9693
-
-
Parchment, O.G.1
Vincent, M.A.2
Hillier, I.H.3
-
105
-
-
0031646313
-
Hydration of beryllium, magnesium, calcium, and zinc ions using density functional theory
-
Pavlov M, Siegbahn PEM, Sandstrom M (1998) Hydration of beryllium, magnesium, calcium, and zinc ions using density functional theory. J Phys Chem A 102:219-228
-
(1998)
J Phys Chem A
, vol.102
, pp. 219-228
-
-
Pavlov, M.1
Siegbahn, P.E.M.2
Sandstrom, M.3
-
106
-
-
11944256577
-
Iterative minimization techniques for ab initio total energy calculations: Molecular dynamics and conjugate gradients
-
Payne MC, Teter MP, Allen DC, Arias TA, Joannopoulos JD (1992) Iterative minimization techniques for ab initio total energy calculations: molecular dynamics and conjugate gradients. Rev Mod Phys 64:1045-1097
-
(1992)
Rev Mod Phys
, vol.64
, pp. 1045-1097
-
-
Payne, M.C.1
Teter, M.P.2
Allen, D.C.3
Arias, T.A.4
Joannopoulos, J.D.5
-
107
-
-
0026097163
-
Speciation of aqueous solutions at temperatures 25-300°C: A laser Raman spectroscopic study
-
Peck JA, Tait CD, Swanson BI, Brown GE (1991) Speciation of aqueous solutions at temperatures 25-300°C: a laser Raman spectroscopic study. Geochim Cosmochim Acta 55:671-676
-
(1991)
Geochim Cosmochim Acta
, vol.55
, pp. 671-676
-
-
Peck, J.A.1
Tait, C.D.2
Swanson, B.I.3
Brown, G.E.4
-
108
-
-
5944261746
-
Density-functional approximation for the correlation energy of the inhomogeneous electron gas
-
Perdew JP (1986) Density-functional approximation for the correlation energy of the inhomogeneous electron gas. Phys Rev B-Cond Mat 33:8822-8824
-
(1986)
Phys Rev B-Cond Mat
, vol.33
, pp. 8822-8824
-
-
Perdew, J.P.1
-
109
-
-
18144378706
-
Accurate and simple density functional for the electronic exchange energy - Generalized gradient approximation
-
Perdew JP, Yue W (1986) accurate and simple density functional for the electronic exchange energy - generalized gradient approximation. Phys Rev B 33:8800-8802
-
(1986)
Phys Rev B
, vol.33
, pp. 8800-8802
-
-
Perdew, J.P.1
Yue, W.2
-
110
-
-
23244460838
-
Atoms, molecules, solids, and surfaces - Applications of the generalized gradient approximation for exchange and correlation
-
Perdew JP, Chevary JA, Vosko SH, Jackson KA, Pederson MR, Singh DJ, Fiolhais C (1992) Atoms, molecules, solids, and surfaces - applications of the generalized gradient approximation for exchange and correlation Phys Rev 646:6671-6687
-
(1992)
Phys Rev
, vol.646
, pp. 6671-6687
-
-
Perdew, J.P.1
Chevary, J.A.2
Vosko, S.H.3
Jackson, K.A.4
Pederson, M.R.5
Singh, D.J.6
Fiolhais, C.7
-
111
-
-
0001610293
-
An XAFS study of strontium ions and krypton in supercritical water
-
Pfund DM, Darab JG, Fulton JL, Ma YJ (1994) An XAFS study of strontium ions and krypton in supercritical water. J Phys Chem 98:13102-1310
-
(1994)
J Phys Chem
, vol.98
, pp. 13102-21310
-
-
Pfund, D.M.1
Darab, J.G.2
Fulton, J.L.3
Ma, Y.J.4
-
112
-
-
85005470381
-
Scaling factors for obtaining fundamental vibrational frequencies at zero-point energies from HF/6-31G* and MP2/6-31G* harmonic frequencies
-
Pople JA, Scott AP, Wong MW, Radom L (1993) Scaling factors for obtaining fundamental vibrational frequencies at zero-point energies from HF/6-31G* and MP2/6-31G* harmonic frequencies. Israeli J Chem, 33:345-350
-
(1993)
Israeli J Chem
, vol.33
, pp. 345-350
-
-
Pople, J.A.1
Scott, A.P.2
Wong, M.W.3
Radom, L.4
-
113
-
-
0001372093
-
- in aqueous-solution - An experimental determination of G(ClH)(R) and G(ClO)(R)
-
- in aqueous-solution - an experimental determination of G(ClH)(R) and G(ClO)(R) J Phys-Condens Mat 5:5723-5730
-
(1993)
J Phys-Condens Mat
, vol.5
, pp. 5723-5730
-
-
Powell, D.H.1
Neilson, G.W.2
Enderby, J.E.3
-
115
-
-
0016863641
-
Reaction of metals with vitamins. I. Crystal and molecular structure of thiaminium tetrachlorocadmate monohydrate
-
Richardson MF, Franklin K, Thompson DM (1975) Reaction of metals with vitamins. I. Crystal and molecular structure of thiaminium tetrachlorocadmate monohydrate. J Am Chem Soc 97:3204-3209
-
(1975)
J Am Chem Soc
, vol.97
, pp. 3204-3209
-
-
Richardson, M.F.1
Franklin, K.2
Thompson, D.M.3
-
116
-
-
0033303314
-
The possible role of Cu(II) for the origin of life
-
Rode BM, Suwannachot Y (1999) The possible role of Cu(II) for the origin of life. Coordin Chem Rev 192:1085-1099
-
(1999)
Coordin Chem Rev
, vol.192
, pp. 1085-1099
-
-
Rode, B.M.1
Suwannachot, Y.2
-
117
-
-
0016994201
-
The effect of cuprous chloride complexes in the origin of red-bed copper and related deposits
-
Rose AW (1976) The effect of cuprous chloride complexes in the origin of red-bed copper and related deposits. Econ Geol 71:1035-1048
-
(1976)
Econ Geol
, vol.71
, pp. 1035-1048
-
-
Rose, A.W.1
-
118
-
-
0000990871
-
Raman spectroscopic measurements and ab initio molecular orbital studies of cadmium(II) hydration in aqueous solution
-
Rudolph WW, Pye CC (1998) Raman spectroscopic measurements and ab initio molecular orbital studies of cadmium(II) hydration in aqueous solution. J Phys Chem B 102:3564-3573
-
(1998)
J Phys Chem B
, vol.102
, pp. 3564-3573
-
-
Rudolph, W.W.1
Pye, C.C.2
-
119
-
-
0033212728
-
Zinc(II) hydration in aqueous solution. A Raman spectroscopic investigation and an ab initio study
-
Rudolph WW, Pye CC (1999) Zinc(II) hydration in aqueous solution. A Raman spectroscopic investigation and an ab initio study. Phys Chem Chem Phys 1:4583-4593
-
(1999)
Phys Chem Chem Phys
, vol.1
, pp. 4583-4593
-
-
Rudolph, W.W.1
Pye, C.C.2
-
120
-
-
36448999671
-
Molecular dynamics simulation of iron(III) and its hydrolysis products in aqueous solution
-
Rustad JR, Hay BP, Halley JW (1995) Molecular dynamics simulation of iron(III) and its hydrolysis products in aqueous solution. J Chem Phys 102:427-431
-
(1995)
J Chem Phys
, vol.102
, pp. 427-431
-
-
Rustad, J.R.1
Hay, B.P.2
Halley, J.W.3
-
121
-
-
0000616938
-
On the coordination around mercury(II), cadmium(II) and zinc(II) in dimethyl sulfoxide and aqueous solutions. An X-ray diffraction, Raman and infrared investigation
-
Sandstrom M, Persson I, Ahrlan S (1978) On the coordination around mercury(II), cadmium(II) and zinc(II) in dimethyl sulfoxide and aqueous solutions. An X-ray diffraction, Raman and infrared investigation. Acta Chem Scand A32:607-625
-
(1978)
Acta Chem Scand
, vol.A32
, pp. 607-625
-
-
Sandstrom, M.1
Persson, I.2
Ahrlan, S.3
-
124
-
-
0033396943
-
An EXAFS study of solvation and ion pairing in aqueous strontium solutions to 300 degrees C
-
Seward TM, Henderson CMB, Charnock JM, Driesner T (1999) An EXAFS study of solvation and ion pairing in aqueous strontium solutions to 300 degrees C. Geochim Cosmochim Acta 63:2409-2418
-
(1999)
Geochim Cosmochim Acta
, vol.63
, pp. 2409-2418
-
-
Seward, T.M.1
Henderson, C.M.B.2
Charnock, J.M.3
Driesner, T.4
-
125
-
-
0034073280
-
Indium(III) chloride complexing and solvation in hydrothermal solutions to 350 degrees C: An EXAFS study
-
Seward TM, Henderson CMB, Chamock JM (2000) Indium(III) chloride complexing and solvation in hydrothermal solutions to 350 degrees C: an EXAFS study. Chem Geol 167:117-127
-
(2000)
Chem Geol
, vol.167
, pp. 117-127
-
-
Seward, T.M.1
Henderson, C.M.B.2
Chamock, J.M.3
-
126
-
-
0011052425
-
X-ray diffraction study of water and aqueous solutions of manganese, zinc and copper sulphates
-
Shapovalov IM, Radchenko IV (1971) X-ray diffraction study of water and aqueous solutions of manganese, zinc and copper sulphates. Russ J Structural Chem, 12:769-773
-
(1971)
Russ J Structural Chem
, vol.12
, pp. 769-773
-
-
Shapovalov, I.M.1
Radchenko, I.V.2
-
127
-
-
0034030790
-
Antimony transport in hydrothermal solutions: An EXAFS study of antimony(V) complexation in alkaline sulfide and sulfide-chloride brines at temperatures from 25 degrees C to 300 degrees C at P-sat
-
Sherman DM, Ragnarsdottir KV, Oelkers EH (2000a) Antimony transport in hydrothermal solutions: an EXAFS study of antimony(V) complexation in alkaline sulfide and sulfide-chloride brines at temperatures from 25 degrees C to 300 degrees C at P-sat. Chem Geol 167:161-167
-
(2000)
Chem Geol
, vol.167
, pp. 161-167
-
-
Sherman, D.M.1
Ragnarsdottir, K.V.2
Oelkers, E.H.3
-
129
-
-
0041389731
-
The application of factor analysis and Raman band contour resolution techniques to the study of aqueous Zn(II) chloride solutions
-
Shurvell HF, Dunham A (1978) The application of factor analysis and Raman band contour resolution techniques to the study of aqueous Zn(II) chloride solutions. Can J Spectroscopy 23:160-165
-
(1978)
Can J Spectroscopy
, vol.23
, pp. 160-165
-
-
Shurvell, H.F.1
Dunham, A.2
-
131
-
-
0011108916
-
Computer simulations of NaCl association in polarizable water
-
Smith DE, Dang LX (1994a) Computer simulations of NaCl association in polarizable water. J Chem Phys 100:3757-3766
-
(1994)
J Chem Phys
, vol.100
, pp. 3757-3766
-
-
Smith, D.E.1
Dang, L.X.2
-
132
-
-
0001372015
-
Computer simulations of cesium water clusters-do ion water clusters form gas-phase clathrates
-
Smith DE, Dang LX (1994b) Computer simulations of cesium water clusters-do ion water clusters form gas-phase clathrates. J Chem Phys 101:7873-7881
-
(1994)
J Chem Phys
, vol.101
, pp. 7873-7881
-
-
Smith, D.E.1
Dang, L.X.2
-
135
-
-
0002238924
-
Theoretical calculations on the structure of the hexahydrated divalent zinc, cadmium and mercury ions
-
Stromberg D, Sandstrom M, Wahlgren U (1990) Theoretical calculations on the structure of the hexahydrated divalent zinc, cadmium and mercury ions. Chem Phys Lett 172:49-54
-
(1990)
Chem Phys Lett
, vol.172
, pp. 49-54
-
-
Stromberg, D.1
Sandstrom, M.2
Wahlgren, U.3
-
136
-
-
0030987703
-
Prediction of thermodynamic properties of aqueous metal complexes to 1000°C and 5 kb
-
Sverjensky DA, Shock EL, Helgeson HC (1997) Prediction of thermodynamic properties of aqueous metal complexes to 1000°C and 5 kb. Geochim Cosmochim Acta 61:1359-1412
-
(1997)
Geochim Cosmochim Acta
, vol.61
, pp. 1359-1412
-
-
Sverjensky, D.A.1
Shock, E.L.2
Helgeson, H.C.3
-
137
-
-
0000996852
-
Equilibrium and EXAFS studies of mercury(II) porphyrin in aqueous solution
-
Tabata M, Ozutsumi K (1992) Equilibrium and EXAFS studies of mercury(II) porphyrin in aqueous solution. Bull Chem Soc Jap 65:1438-1444
-
(1992)
Bull Chem Soc Jap
, vol.65
, pp. 1438-1444
-
-
Tabata, M.1
Ozutsumi, K.2
-
138
-
-
28144440701
-
Numerical integration for polyatomic systems
-
Te-Velde G, Baerends EJ (1992) Numerical integration for polyatomic systems. J Comput Phys 99:84-98
-
(1992)
J Comput Phys
, vol.99
, pp. 84-98
-
-
Te-Velde, G.1
Baerends, E.J.2
-
140
-
-
0031256177
-
Monte Carlo simulations of copper chloride solutions at various concentrations including full 3-body correction terms
-
Texler NR, Rode BM (1997) Monte Carlo simulations of copper chloride solutions at various concentrations including full 3-body correction terms. Chem Phys 222:281-288
-
(1997)
Chem Phys
, vol.222
, pp. 281-288
-
-
Texler, N.R.1
Rode, B.M.2
-
142
-
-
0000422566
-
2-n species in aqueous-solution
-
2-n species in aqueous-solution. J Phys Chem 95:366-371
-
(1991)
J Phys Chem
, vol.95
, pp. 366-371
-
-
Tossell, J.A.1
-
143
-
-
0028582919
-
The speciation of antimony in sulfidic solutions. A theoretical study
-
Tossell JA (1994) The speciation of antimony in sulfidic solutions. A theoretical study. Geochim Cosmochim Acta 58:5093-5104
-
(1994)
Geochim Cosmochim Acta
, vol.58
, pp. 5093-5104
-
-
Tossell, J.A.1
-
144
-
-
0029773323
-
The speciation of gold in aqueous solution: A theoretical study
-
Tossell JA (1996) The speciation of gold in aqueous solution: A theoretical study. Geochim Cosmochim Acta 66:17-29
-
(1996)
Geochim Cosmochim Acta
, vol.66
, pp. 17-29
-
-
Tossell, J.A.1
-
145
-
-
0030875877
-
Theoretical studies on arsenic oxide and hydroxide species in minerals and in aqueous solution
-
Tossell JA (1997) Theoretical studies on arsenic oxide and hydroxide species in minerals and in aqueous solution. Geochim Cosmochim Acta 61:1613-1623
-
(1997)
Geochim Cosmochim Acta
, vol.61
, pp. 1613-1623
-
-
Tossell, J.A.1
-
146
-
-
0032743174
-
Theoretical studies of the formation of mercury complexes in solution and the dissolution and reaction of cinnabar
-
Tossell JA (1999) Theoretical studies of the formation of mercury complexes in solution and the dissolution and reaction of cinnabar. Am Mineral 84:877-883
-
(1999)
Am Mineral
, vol.84
, pp. 877-883
-
-
Tossell, J.A.1
-
148
-
-
0027526862
-
Bisulfide complexes of zinc and cadmium in aqueous solution: Calculation of structure, stability, vibrational, and NMR spectra, and of speciation on sulfide mineral surfaces
-
Tossell JA, Vaughan DJ (1993) Bisulfide complexes of zinc and cadmium in aqueous solution: Calculation of structure, stability, vibrational, and NMR spectra, and of speciation on sulfide mineral surfaces. Geochim Cosmochim Acta, 57:1935-1945
-
(1993)
Geochim Cosmochim Acta
, vol.57
, pp. 1935-1945
-
-
Tossell, J.A.1
Vaughan, D.J.2
-
149
-
-
0000216001
-
Accurate spin-dependent electron liquid correlation energies for local spin density calculations: A critical analysis
-
Vosko SL, Wilk L, Nusair M (1980) Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis. Can J Phys 58:1200-1211
-
(1980)
Can J Phys
, vol.58
, pp. 1200-1211
-
-
Vosko, S.L.1
Wilk, L.2
Nusair, M.3
-
150
-
-
0000277010
-
The NBS Tables of chemical thermodynamic properties, selected values for inorganic and c1 and c2 organic substances in SI units
-
Wagman DD, Evans WH, Parker VB, Schumm RH, Halow I, Bailey SM, Churney KL, Nuttall, RL (1982) The NBS Tables of chemical thermodynamic properties, selected values for inorganic and c1 and c2 organic substances in SI units. J Chem Phys Ref Data (Supplement 2) 11:1-329
-
(1982)
J Chem Phys Ref Data
, vol.11
, Issue.2 SUPPL.
, pp. 1-329
-
-
Wagman, D.D.1
Evans, W.H.2
Parker, V.B.3
Schumm, R.H.4
Halow, I.5
Bailey, S.M.6
Churney, K.L.7
Nuttall, R.L.8
-
151
-
-
0001243481
-
2+ in supercritical water at 425 degrees C determined by X-ray absorption fine structure and molecular dynamics studies
-
2+ in supercritical water at 425 degrees C determined by X-ray absorption fine structure and molecular dynamics studies. J Chem Phys 108:4039-4046
-
(1998)
J Chem Phys
, vol.108
, pp. 4039-4046
-
-
Wallen, S.L.1
Palmer, B.J.2
Fulton, J.L.3
-
152
-
-
0001485229
-
Photo-redox processes at the mineral-water interface
-
Hochella MF, White AF (eds)
-
Waite TD (1990) Photo-redox processes at the mineral-water interface. In: Mineral Water Interface Geochemistry. Hochella MF, White AF (eds), 15:559-603
-
(1990)
Mineral Water Interface Geochemistry
, vol.15
, pp. 559-603
-
-
Waite, T.D.1
-
153
-
-
0024526086
-
Raman spectroscopic determination of the speciation of ore metals in hydrothermal solutions: I. Speciation of antimony in alkaline sulfide solutions at 25°C
-
Wood SA (1989) Raman spectroscopic determination of the speciation of ore metals in hydrothermal solutions: I. Speciation of antimony in alkaline sulfide solutions at 25°C. Geochim Cosmochim Acta 53:237-244
-
(1989)
Geochim Cosmochim Acta
, vol.53
, pp. 237-244
-
-
Wood, S.A.1
-
154
-
-
0010974147
-
Microstructure and species distribution of aqueous zinc-chloride solutions - Results from Monte-Carlo simulations
-
Yongyai Y, Kokpol S, Rode BM (1992) Microstructure and species distribution of aqueous zinc-chloride solutions - results from Monte-Carlo simulations. J Chem Soc-Faraday Trans 88:537-1540
-
(1992)
J Chem Soc-Faraday Trans
, vol.88
, pp. 537-1540
-
-
Yongyai, Y.1
Kokpol, S.2
Rode, B.M.3
|