메뉴 건너뛰기




Volumn 74, Issue 22, 2010, Pages 6301-6323

Isotopic fractionation of Mg2+(aq), Ca2+(aq), and Fe2+(aq) with carbonate minerals

Author keywords

[No Author keywords available]

Indexed keywords

CALCITE; CALCIUM; CARBONATE GROUP; DOLOMITE; IRON; ISOTOPIC FRACTIONATION; MAGNESITE; MAGNESIUM; SIDERITE;

EID: 77957875458     PISSN: 00167037     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.gca.2010.08.018     Document Type: Article
Times cited : (189)

References (82)
  • 2
    • 84962441480 scopus 로고    scopus 로고
    • Theoretical investigation of iron isotope fractionation between Fe(H2O)63+ and Fe(H2O)62+: Implications for iron stable isotope geochemistry
    • Anbar A.D., Jarzecki A., Spiro T. Theoretical investigation of iron isotope fractionation between Fe(H2O)63+ and Fe(H2O)62+: Implications for iron stable isotope geochemistry. Geochim. Cosmochim. Acta 2005, 69:825-837.
    • (2005) Geochim. Cosmochim. Acta , vol.69 , pp. 825-837
    • Anbar, A.D.1    Jarzecki, A.2    Spiro, T.3
  • 5
    • 0034604514 scopus 로고    scopus 로고
    • Aggregation-based crystal growth and microstructure development in natural iron oxyhydroxide biomineralization products
    • Banfield J.F., Welch S.A., Zhang H., Tomsen Ebert T., Penn R.L. Aggregation-based crystal growth and microstructure development in natural iron oxyhydroxide biomineralization products. Science 2000, 289:751-754.
    • (2000) Science , vol.289 , pp. 751-754
    • Banfield, J.F.1    Welch, S.A.2    Zhang, H.3    Tomsen Ebert, T.4    Penn, R.L.5
  • 7
    • 4243553426 scopus 로고
    • Density-functional exchange-energy approximation with correct asymptotic behavior
    • Becke A.D. Density-functional exchange-energy approximation with correct asymptotic behavior. Phys. Rev. A 1988, 38:309-3100.
    • (1988) Phys. Rev. A , vol.38 , pp. 309-3100
    • Becke, A.D.1
  • 8
    • 0000189651 scopus 로고
    • Density-functional thermochemistry: III. The role of exact exchange
    • Becke A.D. Density-functional thermochemistry: III. The role of exact exchange. J. Chem. Phys. 1993, 98:5648-5652.
    • (1993) J. Chem. Phys. , vol.98 , pp. 5648-5652
    • Becke, A.D.1
  • 9
    • 36849137629 scopus 로고
    • Calculation of equilibrium constants for isotopic exchange reactions
    • Bigeleisen J., Mayer M.G. Calculation of equilibrium constants for isotopic exchange reactions. J. Chem. Phys. 1947, 15:261-267.
    • (1947) J. Chem. Phys. , vol.15 , pp. 261-267
    • Bigeleisen, J.1    Mayer, M.G.2
  • 10
    • 2442617487 scopus 로고
    • Self-consistent molecular orbital methods: 21. Small split-valence basis sets for first-row elements
    • Binkley J.S., Pople J.A., Hehre W.J. Self-consistent molecular orbital methods: 21. Small split-valence basis sets for first-row elements. J. Am. Chem. Soc. 1980, 102:939-947.
    • (1980) J. Am. Chem. Soc. , vol.102 , pp. 939-947
    • Binkley, J.S.1    Pople, J.A.2    Hehre, W.J.3
  • 13
    • 36048996913 scopus 로고    scopus 로고
    • Basis set limit coupled cluster study of H-bonded systems and assessment of more approximate methods
    • Boese A.D., Martin J.M.L., Klopper W. Basis set limit coupled cluster study of H-bonded systems and assessment of more approximate methods. J. Phys. Chem. A 2007, 111:11122-11133.
    • (2007) J. Phys. Chem. A , vol.111 , pp. 11122-11133
    • Boese, A.D.1    Martin, J.M.L.2    Klopper, W.3
  • 14
    • 77957875631 scopus 로고    scopus 로고
    • Ab initio study of the structure and dynamics of solvated highly charged ions. Ph.D. thesis, Department of Chemistry and Biochemistry, University of California, San Diego.
    • Bogatko S. (2008) Ab initio study of the structure and dynamics of solvated highly charged ions. Ph.D. thesis, Department of Chemistry and Biochemistry, University of California, San Diego.
    • (2008)
    • Bogatko, S.1
  • 15
    • 65249149630 scopus 로고    scopus 로고
    • Evaluation of B3LYP, X3LYP, and M06-class density functionals for predicting the binding energies of neutral, protonated, and deprotonated water clusters
    • Bryantsev V.S., Diallo M.S., van Duin A.C.T., Goddard W.A. Evaluation of B3LYP, X3LYP, and M06-class density functionals for predicting the binding energies of neutral, protonated, and deprotonated water clusters. J. Chem. Theory Comput. 2009, 5:1016-1026.
    • (2009) J. Chem. Theory Comput. , vol.5 , pp. 1016-1026
    • Bryantsev, V.S.1    Diallo, M.S.2    van Duin, A.C.T.3    Goddard, W.A.4
  • 16
    • 76249123816 scopus 로고    scopus 로고
    • Metal stable isotopes in low-temperature systems: A primer
    • Bullen T.D., Eisenhauer A. Metal stable isotopes in low-temperature systems: A primer. Elements 2009, 5:349-352.
    • (2009) Elements , vol.5 , pp. 349-352
    • Bullen, T.D.1    Eisenhauer, A.2
  • 17
    • 4243606192 scopus 로고
    • Unified approach for molecular dynamics and density functional theory
    • Car R., Parrinello M. Unified approach for molecular dynamics and density functional theory. Phys. Rev. Lett. 1985, 55:2471-2474.
    • (1985) Phys. Rev. Lett. , vol.55 , pp. 2471-2474
    • Car, R.1    Parrinello, M.2
  • 19
    • 53349164216 scopus 로고    scopus 로고
    • Density functional theory predictions of equilibrium isotope fractionation of iron due to redox changes and organic complexation
    • Domagal-Goldman S.D., Kubicki J.D. Density functional theory predictions of equilibrium isotope fractionation of iron due to redox changes and organic complexation. Geochim. Cosmochim. Acta 2008, 72:5201-5216.
    • (2008) Geochim. Cosmochim. Acta , vol.72 , pp. 5201-5216
    • Domagal-Goldman, S.D.1    Kubicki, J.D.2
  • 20
    • 76249099533 scopus 로고    scopus 로고
    • Marine calcification, and alkali earth metal perspective
    • Eisenhauer A., Kisaküek B., Böhm F. Marine calcification, and alkali earth metal perspective. Elements 2009, 5:365-368.
    • (2009) Elements , vol.5 , pp. 365-368
    • Eisenhauer, A.1    Kisaküek, B.2    Böhm, F.3
  • 21
    • 34247623611 scopus 로고    scopus 로고
    • 2+(aq)-calcite equilibrium fractionation factor and calcite recrystallization rates in Pleistocene sediments
    • 2+(aq)-calcite equilibrium fractionation factor and calcite recrystallization rates in Pleistocene sediments. Geochim. Cosmochim. Acta 2007, 71:2524-2546.
    • (2007) Geochim. Cosmochim. Acta , vol.71 , pp. 2524-2546
    • Fantle, M.S.1    DePaolo, D.J.2
  • 23
  • 25
    • 57849165523 scopus 로고    scopus 로고
    • Stable prenucleation calcium carbonate clusters
    • Gebauer D., Völkel A., Cölfen H. Stable prenucleation calcium carbonate clusters. Science 2008, 322:1819-1822.
    • (2008) Science , vol.322 , pp. 1819-1822
    • Gebauer, D.1    Völkel, A.2    Cölfen, H.3
  • 26
    • 0019914389 scopus 로고
    • Molecules as models for bonding in silicates
    • Gibbs G.V. Molecules as models for bonding in silicates. Am. Mineral. 1982, 67:421-450.
    • (1982) Am. Mineral. , vol.67 , pp. 421-450
    • Gibbs, G.V.1
  • 27
    • 0001470765 scopus 로고
    • Optimization of Gaussian-type basis sets for local spin-density calculations: 1. Boron through neon, optimization technique and validation
    • Godbout N., Salahub D.R., Andzelm J., Wimmer E. Optimization of Gaussian-type basis sets for local spin-density calculations: 1. Boron through neon, optimization technique and validation. Can. J. Chem. 1992, 70:560-571.
    • (1992) Can. J. Chem. , vol.70 , pp. 560-571
    • Godbout, N.1    Salahub, D.R.2    Andzelm, J.3    Wimmer, E.4
  • 28
    • 0011258653 scopus 로고
    • Crystallographic tables for the rhombohedral carbonates
    • Graf D.L. Crystallographic tables for the rhombohedral carbonates. Am. Mineral. 1961, 46:1283-1316.
    • (1961) Am. Mineral. , vol.46 , pp. 1283-1316
    • Graf, D.L.1
  • 30
    • 84912227241 scopus 로고
    • Investigation of isotopic effects of calcium in heterogeneous exchange equilibria
    • Heumann K.G., Lieser K.H. Investigation of isotopic effects of calcium in heterogeneous exchange equilibria. Z. Naturforsch. 1972, 27:126-133.
    • (1972) Z. Naturforsch. , vol.27 , pp. 126-133
    • Heumann, K.G.1    Lieser, K.H.2
  • 32
    • 41449094708 scopus 로고    scopus 로고
    • Modeling the effects of bond environment on iron isotope fractionation in ferric aquo-chlor complexes
    • Hill P.S., Schauble E.A. Modeling the effects of bond environment on iron isotope fractionation in ferric aquo-chlor complexes. Geochim. Cosmochim. Acta 2008, 72:1939-1958.
    • (2008) Geochim. Cosmochim. Acta , vol.72 , pp. 1939-1958
    • Hill, P.S.1    Schauble, E.A.2
  • 33
    • 70350408344 scopus 로고    scopus 로고
    • Ca isotope study of Ordovician dolomite, limestone, and anhydrite in the Williston basin: implications for subsurface dolomitization and local Ca cycling
    • Holmden C. Ca isotope study of Ordovician dolomite, limestone, and anhydrite in the Williston basin: implications for subsurface dolomitization and local Ca cycling. Chem. Geol. 2009, 268:1080-1088.
    • (2009) Chem. Geol. , vol.268 , pp. 1080-1088
    • Holmden, C.1
  • 35
    • 38849193293 scopus 로고    scopus 로고
    • The iron isotope fingerprints of redox and biogeochemical cycling in modern and ancient Earth
    • Johnson C.M., Beard B.L., Roden E.E. The iron isotope fingerprints of redox and biogeochemical cycling in modern and ancient Earth. Annu. Rev. Earth Planet. Sci. 2008, 36:457-493.
    • (2008) Annu. Rev. Earth Planet. Sci. , vol.36 , pp. 457-493
    • Johnson, C.M.1    Beard, B.L.2    Roden, E.E.3
  • 37
    • 4143095330 scopus 로고
    • Electron affinities of the 1st-row atoms revisited-systematic basis-sets and wave-functions
    • Kendall R.A., Dunning T.H., Harrison R.J. Electron affinities of the 1st-row atoms revisited-systematic basis-sets and wave-functions. J. Chem. Phys. 1992, 96:6796-6809.
    • (1992) J. Chem. Phys. , vol.96 , pp. 6796-6809
    • Kendall, R.A.1    Dunning, T.H.2    Harrison, R.J.3
  • 40
    • 84961980743 scopus 로고
    • COSMO-a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient
    • Klamt A., Schüürmann G. COSMO-a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient. J. Chem. Soc., Perkin Trans. 1993, 2:799-805.
    • (1993) J. Chem. Soc., Perkin Trans. , vol.2 , pp. 799-805
    • Klamt, A.1    Schüürmann, G.2
  • 41
    • 0345491105 scopus 로고
    • Development of the Colle-Salvetti correlation-energy formula into a functional for the electron density
    • Lee C., Yang W., Parr R.G. Development of the Colle-Salvetti correlation-energy formula into a functional for the electron density. Phys. Rev. B 1988, 37:785-789.
    • (1988) Phys. Rev. B , vol.37 , pp. 785-789
    • Lee, C.1    Yang, W.2    Parr, R.G.3
  • 44
    • 0037118418 scopus 로고    scopus 로고
    • The arrangement of first- and second-sphere water molecules in divalent magnesium complexes: results from molecular orbital and density functional theory and from structural crystallography
    • Markham G.D., Glusker J.P., Bock C.W. The arrangement of first- and second-sphere water molecules in divalent magnesium complexes: results from molecular orbital and density functional theory and from structural crystallography. J. Phys. Chem. B 2002, 106:5118-5134.
    • (2002) J. Phys. Chem. B , vol.106 , pp. 5118-5134
    • Markham, G.D.1    Glusker, J.P.2    Bock, C.W.3
  • 46
    • 0141509423 scopus 로고
    • Contracted Gaussian-basis sets for molecular calculations
    • McLean A.D., Chandler G.S. Contracted Gaussian-basis sets for molecular calculations. J. Chem. Phys. 1980, 72:5639-5648.
    • (1980) J. Chem. Phys. , vol.72 , pp. 5639-5648
    • McLean, A.D.1    Chandler, G.S.2
  • 47
    • 24844469999 scopus 로고
    • Fractionation of calcium isotopes in carbonate precipitates
    • Möller P., Papendorff H. Fractionation of calcium isotopes in carbonate precipitates. Earth Planet. Sci. Lett. 1971, 11:192-194.
    • (1971) Earth Planet. Sci. Lett. , vol.11 , pp. 192-194
    • Möller, P.1    Papendorff, H.2
  • 48
    • 6944251055 scopus 로고
    • Note on an approximation treatment for many-electron systems
    • Møller C., Plesset M.S. Note on an approximation treatment for many-electron systems. Phys. Rev. 1934, 46:618-622.
    • (1934) Phys. Rev. , vol.46 , pp. 618-622
    • Møller, C.1    Plesset, M.S.2
  • 49
    • 41349084548 scopus 로고    scopus 로고
    • Ab initio calculations for equilibrium fractionations in multiple sulfur isotope systems
    • Otake T., Lasaga A.C., Ohmoto H. Ab initio calculations for equilibrium fractionations in multiple sulfur isotope systems. Chem. Geol. 2008, 249:357-376.
    • (2008) Chem. Geol. , vol.249 , pp. 357-376
    • Otake, T.1    Lasaga, A.C.2    Ohmoto, H.3
  • 50
    • 70349188430 scopus 로고    scopus 로고
    • Ab-initio structure, energy and stable Fe isotope equilibrium fractionation of some geochemically relevant H-O-Fe complexes
    • Ottonello G., Zuccolini M.V. Ab-initio structure, energy and stable Fe isotope equilibrium fractionation of some geochemically relevant H-O-Fe complexes. Geochim. Cosmochim. Acta 2009, 73:6447-6469.
    • (2009) Geochim. Cosmochim. Acta , vol.73 , pp. 6447-6469
    • Ottonello, G.1    Zuccolini, M.V.2
  • 51
    • 5944261746 scopus 로고
    • Density-functional approximation for the correlation-energy of the inhomogeneous electron-gas
    • Perdew J.P. Density-functional approximation for the correlation-energy of the inhomogeneous electron-gas. Phys. Rev. B 1986, 33:8822-8824.
    • (1986) Phys. Rev. B , vol.33 , pp. 8822-8824
    • Perdew, J.P.1
  • 52
    • 4243943295 scopus 로고    scopus 로고
    • Generalized gradient approximation made simple
    • Perdew J.P., Burke K., Ernzerhof M. Generalized gradient approximation made simple. Phys. Rev. Lett. 1996, 77:3865-3868.
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865-3868
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 53
    • 34548695882 scopus 로고    scopus 로고
    • Gaussian basis sets exhibiting systematic convergence to the complete basis set limit
    • Elsevier, B.V., Amsterdam, The Netherlands
    • Peterson K.A. Gaussian basis sets exhibiting systematic convergence to the complete basis set limit. Annual Reports in Computational Chemistry 2007, vol. 3. Elsevier, B.V., Amsterdam, The Netherlands.
    • (2007) Annual Reports in Computational Chemistry , vol.3
    • Peterson, K.A.1
  • 54
    • 60149086161 scopus 로고    scopus 로고
    • Equilibrium iron isotope fractionation at the core-mantle boundary
    • Polyakov V.B. Equilibrium iron isotope fractionation at the core-mantle boundary. Science 2009, 323:912-914.
    • (2009) Science , vol.323 , pp. 912-914
    • Polyakov, V.B.1
  • 55
    • 0034003281 scopus 로고    scopus 로고
    • The use of Moessbauer spectroscopy in stable isotope geochemistry
    • Polyakov V.B., Mineev S.D. The use of Moessbauer spectroscopy in stable isotope geochemistry. Geochim. Cosmochim. Acta 2000, 64:849-865.
    • (2000) Geochim. Cosmochim. Acta , vol.64 , pp. 849-865
    • Polyakov, V.B.1    Mineev, S.D.2
  • 56
    • 34447550339 scopus 로고    scopus 로고
    • Equilibrium iron isotope fractionation factors of minerals: reevaluation from the data of nuclear inelastic resonant X-ray scattering and Moessbauer spectroscopy
    • Polyakov V.B., Clayton R.N., Horita J., Mineev S.D. Equilibrium iron isotope fractionation factors of minerals: reevaluation from the data of nuclear inelastic resonant X-ray scattering and Moessbauer spectroscopy. Geochim. Cosmochim. Acta 2007, 71:3833-3846.
    • (2007) Geochim. Cosmochim. Acta , vol.71 , pp. 3833-3846
    • Polyakov, V.B.1    Clayton, R.N.2    Horita, J.3    Mineev, S.D.4
  • 57
    • 84986444438 scopus 로고
    • Theoretical models incorporating electron correlation
    • Pople J.A., Binkley J.S., Seeger R. Theoretical models incorporating electron correlation. Int. J. Quantum Chem. 1976, Y-10(Suppl.):1-19.
    • (1976) Int. J. Quantum Chem. , vol.10 , Issue.SUPPL , pp. 1-19
    • Pople, J.A.1    Binkley, J.S.2    Seeger, R.3
  • 59
    • 0000696794 scopus 로고
    • A general relationship between the oscillation frequency of isotropic molecules (with remarks on the calculation of harmonious force constants)
    • Redlich O. A general relationship between the oscillation frequency of isotropic molecules (with remarks on the calculation of harmonious force constants). Z. Phys. Chem. B 1935, 28:371-382.
    • (1935) Z. Phys. Chem. B , vol.28 , pp. 371-382
    • Redlich, O.1
  • 61
    • 70350525299 scopus 로고    scopus 로고
    • 3) and ferric and ferrous iron in aqueous solution from density functional theory
    • 3) and ferric and ferrous iron in aqueous solution from density functional theory. J. Phys. Chem. A 2009, 113:12249-12255.
    • (2009) J. Phys. Chem. A , vol.113 , pp. 12249-12255
    • Rustad, J.R.1    Dixon, D.A.2
  • 62
    • 68149178644 scopus 로고    scopus 로고
    • Iron isotope fractionation in the Earth's lower mantle
    • Rustad J.R., Yin QZ. Iron isotope fractionation in the Earth's lower mantle. Nat. Geosci. 2009, 2:514-518.
    • (2009) Nat. Geosci. , vol.2 , pp. 514-518
    • Rustad, J.R.1    Yin, Q.Z.2
  • 65
    • 41449086774 scopus 로고    scopus 로고
    • Equilibrium high-temperature Fe isotope fractionation between fayalite and magnetite: an experimental calibration
    • Shahar A., Young E.D., Manning C.E. Equilibrium high-temperature Fe isotope fractionation between fayalite and magnetite: an experimental calibration. Earth Planet. Sci. Lett. 2008, 268:330-338.
    • (2008) Earth Planet. Sci. Lett. , vol.268 , pp. 330-338
    • Shahar, A.1    Young, E.D.2    Manning, C.E.3
  • 66
    • 0036741219 scopus 로고    scopus 로고
    • Kinetic and equilibrium Fe isotope fractionation between aqueous Fe(III) and hematite
    • Skulan J.L., Beard B.L., Johnson C.M. Kinetic and equilibrium Fe isotope fractionation between aqueous Fe(III) and hematite. Geochim. Cosmochim. Acta 2002, 66:2995-3015.
    • (2002) Geochim. Cosmochim. Acta , vol.66 , pp. 2995-3015
    • Skulan, J.L.1    Beard, B.L.2    Johnson, C.M.3
  • 67
    • 0001308666 scopus 로고
    • Fractionation of calcium isotopes in carbonate precipitation
    • Stahl W., Wendt I. Fractionation of calcium isotopes in carbonate precipitation. Earth Planet. Sci. Lett. 1968, 5:184-186.
    • (1968) Earth Planet. Sci. Lett. , vol.5 , pp. 184-186
    • Stahl, W.1    Wendt, I.2
  • 70
    • 84961980477 scopus 로고    scopus 로고
    • Quantum mechanical continuum solvation models
    • Tomasi J., Mennucci B., Cammi R. Quantum mechanical continuum solvation models. Chem. Rev. 2005, 105:2999-3093.
    • (2005) Chem. Rev. , vol.105 , pp. 2999-3093
    • Tomasi, J.1    Mennucci, B.2    Cammi, R.3
  • 71
    • 70349247819 scopus 로고    scopus 로고
    • A molecular dynamics study of the early stages of calcium carbonate growth
    • Tribello G.A., Bruneval F., Liew C.-C., Parrinello M. A molecular dynamics study of the early stages of calcium carbonate growth. J. Phys. Chem. B 2009, 113:11680-11687.
    • (2009) J. Phys. Chem. B , vol.113 , pp. 11680-11687
    • Tribello, G.A.1    Bruneval, F.2    Liew, C.-C.3    Parrinello, M.4
  • 72
    • 33645426115 scopus 로고
    • Efficient pseudopotentials for plane-wave calculations
    • Troullier N., Martins J.L. Efficient pseudopotentials for plane-wave calculations. Phys. Rev. B 1991, 43:1993-2006.
    • (1991) Phys. Rev. B , vol.43 , pp. 1993-2006
    • Troullier, N.1    Martins, J.L.2
  • 73
    • 37049172817 scopus 로고
    • Thermodynamic properties of isotopic substances
    • Urey H.C. Thermodynamic properties of isotopic substances. J. Chem. Soc. 1947, 1947:562-581.
    • (1947) J. Chem. Soc. , vol.1947 , pp. 562-581
    • Urey, H.C.1
  • 74
    • 0005867244 scopus 로고
    • Gaussian basis set for molecular wavefunctions containing third-row atoms
    • Wachters A.J.H. Gaussian basis set for molecular wavefunctions containing third-row atoms. J. Chem. Phys. 1970, 52:1033-1036.
    • (1970) J. Chem. Phys. , vol.52 , pp. 1033-1036
    • Wachters, A.J.H.1
  • 75
    • 0942278231 scopus 로고    scopus 로고
    • Kinetic and equilibrium Fe isotope fractionation between aqueous Fe(II) and Fe(III)
    • Welch S.A., Beard B.L., Johnson C.M., Braterman P.S. Kinetic and equilibrium Fe isotope fractionation between aqueous Fe(II) and Fe(III). Geochim. Cosmochim. Acta 2003, 67:4231-4250.
    • (2003) Geochim. Cosmochim. Acta , vol.67 , pp. 4231-4250
    • Welch, S.A.1    Beard, B.L.2    Johnson, C.M.3    Braterman, P.S.4
  • 76
    • 5744253505 scopus 로고    scopus 로고
    • Experimental determination of Fe isotope fractionation between aqueous Fe(II), siderite and "green rust" in abiotic systems
    • Wiesli R.A., Beard B.L., Johnson C.M. Experimental determination of Fe isotope fractionation between aqueous Fe(II), siderite and "green rust" in abiotic systems. Chem. Geol. 2004, 211:343-362.
    • (2004) Chem. Geol. , vol.211 , pp. 343-362
    • Wiesli, R.A.1    Beard, B.L.2    Johnson, C.M.3
  • 77
    • 51949114994 scopus 로고    scopus 로고
    • Early homogenous amorphous precursor stages of calcium carbonate and subsequent crystal growth in levitated droplets
    • Wolf S.E., Lieterer J., Kappl M., Emmerling F., Tremel W. Early homogenous amorphous precursor stages of calcium carbonate and subsequent crystal growth in levitated droplets. J. Am. Chem. Soc. 2008, 130:12342-12347.
    • (2008) J. Am. Chem. Soc. , vol.130 , pp. 12342-12347
    • Wolf, S.E.1    Lieterer, J.2    Kappl, M.3    Emmerling, F.4    Tremel, W.5
  • 78
    • 26444581690 scopus 로고
    • n, n=1-6: 3. Comparison of density-functional with MP2 results
    • n, n=1-6: 3. Comparison of density-functional with MP2 results. J. Chem. Phys. 1995, 102:4505-4517.
    • (1995) J. Chem. Phys. , vol.102 , pp. 4505-4517
    • Xantheas, S.S.1
  • 79
    • 27244445723 scopus 로고    scopus 로고
    • The isotope geochemistry and cosmochemistry of magnesium. In Geochemistry of Non-Traditional Stable Isotopes, (eds. C. M. Johnson, B. L. Beard and F. Albarade), Reviews in Mineralogy and Geochemistry. Mineralogical Society of America, Geochemical Society, Washington, DC.
    • Young E. D. and Galy A. (2004) The isotope geochemistry and cosmochemistry of magnesium. In Geochemistry of Non-Traditional Stable Isotopes, vol. 55 (eds. C. M. Johnson, B. L. Beard and F. Albarade), Reviews in Mineralogy and Geochemistry. Mineralogical Society of America, Geochemical Society, Washington, DC. pp. 197-230.
    • (2004) , vol.55 , pp. 197-230
    • Young, E.D.1    Galy, A.2
  • 80
    • 0035961089 scopus 로고    scopus 로고
    • Absolute hydration free energy of the proton from first-principles electronic structure calculations
    • Zhan C.G., Dixon D.A. Absolute hydration free energy of the proton from first-principles electronic structure calculations. J. Phys. Chem. A 2001, 105:11534-11540.
    • (2001) J. Phys. Chem. A , vol.105 , pp. 11534-11540
    • Zhan, C.G.1    Dixon, D.A.2
  • 81
    • 0037168345 scopus 로고    scopus 로고
    • First-principles determination of the absolute hydration free energy of the hydroxide ion
    • Zhan C.G., Dixon D.A. First-principles determination of the absolute hydration free energy of the hydroxide ion. J. Phys. Chem. A 2002, 106:9737-9744.
    • (2002) J. Phys. Chem. A , vol.106 , pp. 9737-9744
    • Zhan, C.G.1    Dixon, D.A.2
  • 82
    • 0346821960 scopus 로고
    • Thermodynamics of calcium-isotope-exchange reactions: 1. Exchange between isotopic calcium carbonates and aqueous calcium ions
    • Zhang R., Nash C.P., Rock P.A. Thermodynamics of calcium-isotope-exchange reactions: 1. Exchange between isotopic calcium carbonates and aqueous calcium ions. J. Phys. Chem. 1988, 92:3989-3993.
    • (1988) J. Phys. Chem. , vol.92 , pp. 3989-3993
    • Zhang, R.1    Nash, C.P.2    Rock, P.A.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.