| Description |
xii, 531 pages : illustrations ; 23 cm. |
| Series |
Reviews in mineralogy and geochemistry,
1529-6466 ;
v. 42
|
|
Reviews in mineralogy and geochemistry ; v. 42.
|
| Note |
Errata slip inserted. |
| Bibliography |
Includes bibliographical references. |
| Contents |
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 ... [et al.] -- 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 ... [et al.] -- 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. |
| Subject |
Molecules -- Models.
|
|
Molecules -- Models. |
|
Minerals -- Mathematical models.
|
|
Minerals -- Mathematical models. |
|
Minerals. |
|
Geochemistry -- Mathematical models.
|
|
Geochemistry -- Mathematical models. |
|
Geochemistry. |
| Added Author |
Cygan, Randall Timothy.
|
|
Kubicki, James David.
|
|
Mineralogical Society of America.
|
| ISBN |
0939950545 |
|
