Topics in Molecular Organization and Engineering - Modelling of Minerals and Silicated Materials
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Published By Springer Netherlands

9780792343332, 9780306469336

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Advances in Electron-gas Potential Models: Applications to Some Candidate Lower Mantle Minerals

Topics in Molecular Organization and Engineering - Modelling of Minerals and Silicated Materials ◽

10.1007/0-306-46933-2_4 ◽

1997 ◽

pp. 81-112

Author(s):

M. S. T. Bukowinski ◽

A. Chizmeshya ◽

G. H. Wolf ◽

H. Zhang

Keyword(s):

Lower Mantle ◽

Electron Gas ◽

Potential Models ◽

Mantle Minerals ◽

Gas Potential

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Application of the Partial Charge Model to the Aqueous Chemistry of Silica and Silicates

Topics in Molecular Organization and Engineering - Modelling of Minerals and Silicated Materials ◽

10.1007/0-306-46933-2_10 ◽

1997 ◽

pp. 273-334 ◽

Cited By ~ 4

Author(s):

Marc Henry

Keyword(s):

Partial Charge ◽

Aqueous Chemistry ◽

Charge Model ◽

Partial Charge Model

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High Pressure Studies of Mantle Minerals by Ab initio Variable Cell Shape Molecular Dynamics

Topics in Molecular Organization and Engineering - Modelling of Minerals and Silicated Materials ◽

10.1007/0-306-46933-2_2 ◽

1997 ◽

pp. 39-61 ◽

Cited By ~ 1

Author(s):

Renata M. Wentzcovitch ◽

G. David Price

Keyword(s):

Molecular Dynamics ◽

High Pressure ◽

Ab Initio ◽

Cell Shape ◽

Mantle Minerals ◽

High Pressure Studies

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The SIO Bond and Electron Density Distributions

Topics in Molecular Organization and Engineering - Modelling of Minerals and Silicated Materials ◽

10.1007/0-306-46933-2_6 ◽

1997 ◽

pp. 157-178

Author(s):

G. V. Gibbs ◽

F. C. Hill ◽

M. B. Boisen

Keyword(s):

Electron Density ◽

Density Distributions ◽

Sio Bond

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Quantum-mechanical and Classical Simulations of Mg-Ca Carbonates

Topics in Molecular Organization and Engineering - Modelling of Minerals and Silicated Materials ◽

10.1007/0-306-46933-2_5 ◽

1997 ◽

pp. 113-156 ◽

Cited By ~ 2

Author(s):

Michele Catti ◽

Alessandro Pavese

Keyword(s):

Quantum Mechanical

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The Structural Properties of Silica Using Classical and Quantum Interatomic Forces

Topics in Molecular Organization and Engineering - Modelling of Minerals and Silicated Materials ◽

10.1007/0-306-46933-2_1 ◽

1997 ◽

pp. 1-37

Author(s):

James R. Chelikowsky ◽

Nitin R. Keskar ◽

Nadia Binggeli

Keyword(s):

Structural Properties

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Calculation of Mineral Properties with the Electron Gas Model

Topics in Molecular Organization and Engineering - Modelling of Minerals and Silicated Materials ◽

10.1007/0-306-46933-2_3 ◽

1997 ◽

pp. 63-79

Author(s):

Roy G. Gordon ◽

Daniel J. Lacks

Keyword(s):

Electron Gas

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Molecular Dynamics Simulation of Silicate Glasses

Topics in Molecular Organization and Engineering - Modelling of Minerals and Silicated Materials ◽

10.1007/0-306-46933-2_9 ◽

1997 ◽

pp. 227-271 ◽

Cited By ~ 7

Author(s):

A. N. Cormack ◽

Yuan Cao

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Silicate Glasses ◽

Dynamics Simulation

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The Nature of Silicon-oxygen Bonds in Silica Polymorphs

Topics in Molecular Organization and Engineering - Modelling of Minerals and Silicated Materials ◽

10.1007/0-306-46933-2_7 ◽

1997 ◽

pp. 179-199 ◽

Cited By ~ 11

Author(s):

B. Silvi ◽

A. Savin ◽

F. R. Wagner

Keyword(s):

Silicon Oxygen

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Molecular Dynamics Simulation of Silica with a First-principles Interatomic Potential

Topics in Molecular Organization and Engineering - Modelling of Minerals and Silicated Materials ◽

10.1007/0-306-46933-2_8 ◽

1997 ◽

pp. 201-226

Author(s):

Shinji Tsuneyuki

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

First Principles ◽

Interatomic Potential ◽

Dynamics Simulation

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Topics in Molecular Organization and Engineering - Modelling of Minerals and Silicated MaterialsLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Springer Netherlands

Advances in Electron-gas Potential Models: Applications to Some Candidate Lower Mantle Minerals

Application of the Partial Charge Model to the Aqueous Chemistry of Silica and Silicates

High Pressure Studies of Mantle Minerals by Ab initio Variable Cell Shape Molecular Dynamics

The SIO Bond and Electron Density Distributions

Quantum-mechanical and Classical Simulations of Mg-Ca Carbonates

The Structural Properties of Silica Using Classical and Quantum Interatomic Forces

Calculation of Mineral Properties with the Electron Gas Model

Molecular Dynamics Simulation of Silicate Glasses

The Nature of Silicon-oxygen Bonds in Silica Polymorphs

Molecular Dynamics Simulation of Silica with a First-principles Interatomic Potential

Topics in Molecular Organization and Engineering - Modelling of Minerals and Silicated Materials
Latest Publications