The Resource Molecular modeling theory : applications in the geosciences, editors, Randall T. Cygan, James D. Kubicki

Molecular modeling theory : applications in the geosciences, editors, Randall T. Cygan, James D. Kubicki

Label
Molecular modeling theory : applications in the geosciences
Title
Molecular modeling theory
Title remainder
applications in the geosciences
Statement of responsibility
editors, Randall T. Cygan, James D. Kubicki
Contributor
Subject
Language
eng
Member of
Cataloging source
ORE
Illustrations
illustrations
Index
no index present
LC call number
QE366
LC item number
.M5 v.42
Literary form
non fiction
Nature of contents
bibliography
http://library.link/vocab/relatedWorkOrContributorName
  • Cygan, Randall Timothy
  • Kubicki, James David
  • Mineralogical Society of America
  • Geochemical Society
Series statement
Reviews in mineralogy and geochemistry,
Series volume
v. 42
http://library.link/vocab/subjectName
  • Molecules
  • Minerals
  • Geochemistry
Label
Molecular modeling theory : applications in the geosciences, editors, Randall T. Cygan, James D. Kubicki
Instantiates
Publication
Note
Errata slip inserted
Bibliography note
Includes bibliographical references
Contents
  • 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
  • Molecular modeling in mineralogy and geochemistry
  • 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
  • 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
Dimensions
23 cm.
Extent
xii, 531 p.
Isbn
9780939950546
Issuing body
Issued by Geochemical Society and Mineralogical Society of America.
Lccn
2001273335
Other physical details
ill.
System control number
  • 3320523-01okla_normanlaw
  • (SIRSI)3320523
  • (Sirsi) o47365775
  • (OCoLC)47365775
Label
Molecular modeling theory : applications in the geosciences, editors, Randall T. Cygan, James D. Kubicki
Publication
Note
Errata slip inserted
Bibliography note
Includes bibliographical references
Contents
  • 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
  • Molecular modeling in mineralogy and geochemistry
  • 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
  • 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
Dimensions
23 cm.
Extent
xii, 531 p.
Isbn
9780939950546
Issuing body
Issued by Geochemical Society and Mineralogical Society of America.
Lccn
2001273335
Other physical details
ill.
System control number
  • 3320523-01okla_normanlaw
  • (SIRSI)3320523
  • (Sirsi) o47365775
  • (OCoLC)47365775

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