Theoretical and Computational Chemistry - Molecular Dynamics - From Classical to Quantum Methods
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Molecular Dynamics of Thin Films under Shear

Theoretical and Computational Chemistry - Molecular Dynamics - From Classical to Quantum Methods ◽

10.1016/s1380-7323(99)80048-x ◽

1999 ◽

pp. 629-659 ◽

Cited By ~ 1

Author(s):

Shaoyi Jiang ◽

James F. Belak

Keyword(s):

Thin Films ◽

Molecular Dynamics

Ways and Means to Enhance the Configurational Sampling of Small Peptides in Aqueous Solution in Molecular Dynamics Simulations

Theoretical and Computational Chemistry - Molecular Dynamics - From Classical to Quantum Methods ◽

10.1016/s1380-7323(99)80054-5 ◽

1999 ◽

pp. 859-898 ◽

Cited By ~ 4

Author(s):

Frederico Nardi ◽

Rebecca C. Wade

Keyword(s):

Molecular Dynamics ◽

Aqueous Solution ◽

Molecular Dynamics Simulations ◽

Small Peptides ◽

Dynamics Simulations

Stability and dynamics of ice and clathrate hydrate

Theoretical and Computational Chemistry - Molecular Dynamics - From Classical to Quantum Methods ◽

10.1016/s1380-7323(99)80046-6 ◽

1999 ◽

pp. 533-578 ◽

Cited By ~ 1

Author(s):

Hideki Tanaka

Keyword(s):

Clathrate Hydrate

Molecular dynamics simulation of copper using CHARMM: methodological considerations and initial results

Theoretical and Computational Chemistry - Molecular Dynamics - From Classical to Quantum Methods ◽

10.1016/s1380-7323(99)80050-8 ◽

1999 ◽

pp. 703-736 ◽

Cited By ~ 1

Author(s):

Howard E. Alper ◽

Peter Politzer

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Methodological Considerations ◽

Initial Results

Ab initio and molecular dynamics studies of cation–water interactions

Theoretical and Computational Chemistry - Molecular Dynamics - From Classical to Quantum Methods ◽

10.1016/s1380-7323(99)80044-2 ◽

1999 ◽

pp. 431-469 ◽

Cited By ~ 5

Author(s):

P.B. Balbuena ◽

L. Wang ◽

T. Li ◽

P.A. Derosa

Keyword(s):

Molecular Dynamics ◽

Ab Initio

Series Page

Theoretical and Computational Chemistry - Molecular Dynamics - From Classical to Quantum Methods ◽

10.1016/s1380-7323(99)80622-0 ◽

1999 ◽

pp. iii

Preface

Theoretical and Computational Chemistry - Molecular Dynamics - From Classical to Quantum Methods ◽

10.1016/s1380-7323(99)80033-8 ◽

1999 ◽

pp. v-vii

Author(s):

Perla B. Balbuena ◽

Jorge M. Seminario

Index

Theoretical and Computational Chemistry - Molecular Dynamics - From Classical to Quantum Methods ◽

10.1016/s1380-7323(99)80056-9 ◽

1999 ◽

pp. 933-946

Dynamic Monte Carlo simulations of oscillatory heterogeneous catalytic reactions

Theoretical and Computational Chemistry - Molecular Dynamics - From Classical to Quantum Methods ◽

10.1016/s1380-7323(99)80051-x ◽

1999 ◽

pp. 737-784 ◽

Cited By ~ 6

Author(s):

R.J. Gelten ◽

R.A. van Santen ◽

A.P.J. Jansen

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Catalytic Reactions ◽

Heterogeneous Catalytic ◽

Dynamic Monte Carlo

Thermodynamic Integration Along Coexistence Lines

Theoretical and Computational Chemistry - Molecular Dynamics - From Classical to Quantum Methods ◽

10.1016/s1380-7323(99)80037-5 ◽

1999 ◽

pp. 99-127 ◽

Cited By ~ 2

Author(s):

David A. Kofke ◽

Jeffrey A. Henning

Keyword(s):

Thermodynamic Integration

Theoretical and Computational Chemistry - Molecular Dynamics - From Classical to Quantum MethodsLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Elsevier

Molecular Dynamics of Thin Films under Shear

Ways and Means to Enhance the Configurational Sampling of Small Peptides in Aqueous Solution in Molecular Dynamics Simulations

Stability and dynamics of ice and clathrate hydrate

Molecular dynamics simulation of copper using CHARMM: methodological considerations and initial results

Ab initio and molecular dynamics studies of cation–water interactions

Series Page

Preface

Index

Dynamic Monte Carlo simulations of oscillatory heterogeneous catalytic reactions

Thermodynamic Integration Along Coexistence Lines

Theoretical and Computational Chemistry - Molecular Dynamics - From Classical to Quantum Methods
Latest Publications