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- catalog contributor b12220826.
- catalog contributor b12220827.
- catalog contributor b12220828.
- catalog created "c2001.".
- catalog date "2001".
- catalog date "c2001.".
- catalog dateCopyrighted "c2001.".
- catalog description "Includes bibliographical references.".
- catalog description "Molecular modeling in mineralogy and geochemistry / Randall T. Cygan -- Simulating the crystal structures and properties of ionic materials from interatomic potentials / Julian D. Gale -- Application of lattice dynamics and molecular dynamics techniques to minerals and their surface / Steve C. Parker [and others] -- Molecular simulations of liquid and supercritical water / Andrey G. Kalinichev -- Molecular dynamics simulations of silicate glasses and glass surfaces / Stephen H. Garofalini -- Molecular models of surface relaxation, hydroxylation, and surface charging at oxide-water interfaces / James R. Rustad -- Structure and reactivity of semiconducting mineral surfaces / Kevin M. Rosso -- Quantum chemistry and classical simulations of metal complexes in aqueous solutions / David M. Sherman -- First principles theory of mantle and core phases / Lars Stixrude -- Computational quantum chemical study of the bonded interactions in earth materials and structurally and chemically related molecules / G.V. Gibbs [and others] -- Modeling the kinetics and mechanisms of petroleum and natural gas generations / Yitian Xiao -- Calculating the NMR properties of minerals, glasses, and aqueous species / John D. Tossell -- Interpretation of vibrational spectra using molecular orbital theory calculations / James D. Kubicki -- Molecular orbital modeling and transition state theory in geochemistry / Mihali A. Felipe, Yitian Xiao, James D. Kubicki.".
- catalog extent "xii, 531 p. :".
- catalog identifier "0939950545".
- catalog isPartOf "Reviews in mineralogy and geochemistry ; v. 42".
- catalog issued "2001".
- catalog issued "c2001.".
- catalog language "eng".
- catalog publisher "Washington, DC, U.S.A. : Mineralogical Society of America,".
- catalog subject "Earth sciences Mathematical models.".
- catalog subject "Geochemistry Mathematical models.".
- catalog subject "Minerals Mathematical models.".
- catalog subject "Molecules Models.".
- catalog subject "QD480 .M65 2001".
- catalog subject "QE364 .M58 2001".
- catalog tableOfContents "Molecular modeling in mineralogy and geochemistry / Randall T. Cygan -- Simulating the crystal structures and properties of ionic materials from interatomic potentials / Julian D. Gale -- Application of lattice dynamics and molecular dynamics techniques to minerals and their surface / Steve C. Parker [and others] -- Molecular simulations of liquid and supercritical water / Andrey G. Kalinichev -- Molecular dynamics simulations of silicate glasses and glass surfaces / Stephen H. Garofalini -- Molecular models of surface relaxation, hydroxylation, and surface charging at oxide-water interfaces / James R. Rustad -- Structure and reactivity of semiconducting mineral surfaces / Kevin M. Rosso -- Quantum chemistry and classical simulations of metal complexes in aqueous solutions / David M. Sherman -- First principles theory of mantle and core phases / Lars Stixrude -- Computational quantum chemical study of the bonded interactions in earth materials and structurally and chemically related molecules / G.V. Gibbs [and others] -- Modeling the kinetics and mechanisms of petroleum and natural gas generations / Yitian Xiao -- Calculating the NMR properties of minerals, glasses, and aqueous species / John D. Tossell -- Interpretation of vibrational spectra using molecular orbital theory calculations / James D. Kubicki -- Molecular orbital modeling and transition state theory in geochemistry / Mihali A. Felipe, Yitian Xiao, James D. Kubicki.".
- catalog title "Molecular modeling theory : applications in the geosciences / editors, Randall T. Cygan, James D. Kubicki.".
- catalog type "text".