Table of contents of journal:

Results: 14

Molecular modeling in mineralogy and geochemistry

Authors: Cygan, RT

Citation: Rt. Cygan, Molecular modeling in mineralogy and geochemistry, REV MIN GEO, 42, 2001, pp. 1-35

Simulating the crystal structures and properties of ionic materials from interatomic potentials

Authors: Gale, JD

Citation: Jd. Gale, Simulating the crystal structures and properties of ionic materials from interatomic potentials, REV MIN GEO, 42, 2001, pp. 37-62

Application of lattice dynamics and molecular dynamics techniques to minerals and their surfaces

Authors: Parker, SC de Leeuw, NH Bourova, E Cooke, DJ

Citation: Sc. Parker et al., Application of lattice dynamics and molecular dynamics techniques to minerals and their surfaces, REV MIN GEO, 42, 2001, pp. 63-82

Molecular simulations of liquid and supercritical water: Thermodynamics, structure, and hydrogen bonding

Authors: Kalinichev, AG

Citation: Ag. Kalinichev, Molecular simulations of liquid and supercritical water: Thermodynamics, structure, and hydrogen bonding, REV MIN GEO, 42, 2001, pp. 83-129

Molecular dynamics simulations of silicate glasses and glass surfaces

Authors: Garofalini, SH

Citation: Sh. Garofalini, Molecular dynamics simulations of silicate glasses and glass surfaces, REV MIN GEO, 42, 2001, pp. 131-168

Molecular models of surface relaxation, hydroxylation, and surface charging at oxide-water interfaces

Authors: Rustad, JR

Citation: Jr. Rustad, Molecular models of surface relaxation, hydroxylation, and surface charging at oxide-water interfaces, REV MIN GEO, 42, 2001, pp. 169-197

Structure and reactivity of semiconducting mineral surfaces: Convergence of molecular modeling and experiment

Authors: Rosso, KM

Citation: Km. Rosso, Structure and reactivity of semiconducting mineral surfaces: Convergence of molecular modeling and experiment, REV MIN GEO, 42, 2001, pp. 199-271

Quantum chemistry and classical simulations of metal complexes in aqueous solutions

Authors: Sherman, DM

Citation: Dm. Sherman, Quantum chemistry and classical simulations of metal complexes in aqueous solutions, REV MIN GEO, 42, 2001, pp. 273-317

First principles theory of mantle and core phases

Authors: Stixrude, L

Citation: L. Stixrude, First principles theory of mantle and core phases, REV MIN GEO, 42, 2001, pp. 319-343

A computational quantum chemical study of the bonded interactions in earthmaterials and structurally and chemically related molecules

Authors: Gibbs, GV Boisen, MB Beverly, LL Rosso, KM

Citation: Gv. Gibbs et al., A computational quantum chemical study of the bonded interactions in earthmaterials and structurally and chemically related molecules, REV MIN GEO, 42, 2001, pp. 345-381

Modeling the kinetics and mechanisms of petroleum and natural gas generation: A first principles approach

Authors: Xiao, Y

Citation: Y. Xiao, Modeling the kinetics and mechanisms of petroleum and natural gas generation: A first principles approach, REV MIN GEO, 42, 2001, pp. 383-436

Calculating the NMR properties of minerals, glasses, and aqueous species

Authors: Tossell, JA

Citation: Ja. Tossell, Calculating the NMR properties of minerals, glasses, and aqueous species, REV MIN GEO, 42, 2001, pp. 437-458

Interpretation of vibrational spectra using molecular orbital theory calculations

Authors: Kubicki, JD

Citation: Jd. Kubicki, Interpretation of vibrational spectra using molecular orbital theory calculations, REV MIN GEO, 42, 2001, pp. 459-483

Molecular orbital modeling and transition state theory in geochemistry

Authors: Felipe, MA Xiao, YT Kubicki, JD

Citation: Ma. Felipe et al., Molecular orbital modeling and transition state theory in geochemistry, REV MIN GEO, 42, 2001, pp. 485-531

Risultati: 1-14 |