Molecular Simulation, Volume 31, Issue 1 (2005)

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Molecular Simulation, Volume 31, Issue 1 (2005)

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Original Articles

Article
An Effective Potential for Adsorption of Polar Molecules on Graphite
Xiongce Zhao & J. Karl Johnson
Pages: 1-10
Published online: 16 Aug 2006
AbstractforAn Effective Potential for Adsorption of Polar Molecules on Graphite | Full Text | References | PDF (303.9 KB)
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Article
Interface Response Functions for Amorphous and Crystalline Si and the Implications for Explosive Crystallization
Erik J. Albenze & Paulette Clancy
Pages: 11-24
Published online: 16 Aug 2006
AbstractforInterface Response Functions for Amorphous and Crystalline Si and the Implications for Explosive Crystallization | Full Text | References | PDF (509.4 KB)
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Article
Interatomic Potentials for Simulating MnO2 Polymorphs
Sean D. Fleming, Jonathon R. Morton, Andrew L. Rohl & Chris B. Ward
Pages: 25-32
Published online: 16 Aug 2006
AbstractforInteratomic Potentials for Simulating MnO2 Polymorphs | Full Text | References | PDF (1.5 MB)
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Article
Temperature-quench Molecular Dynamics Simulations for Fluid Phase Equilibria
F. Martínez-Veracoechea * & E.A. Müller
Pages: 33-43
Published online: 16 Aug 2006
AbstractforTemperature-quench Molecular Dynamics Simulations for Fluid Phase Equilibria | Full Text | References | PDF (490.9 KB)
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Article
Modeling Heterogeneous Mesoscopic Fluids in Irregular Geometries using Shared Memory Systems
Krzysztof Boryczko, Witold Dzwinel & David A. Yuen
Pages: 45-56
Published online: 16 Aug 2006
AbstractforModeling Heterogeneous Mesoscopic Fluids in Irregular Geometries using Shared Memory Systems | Full Text | References | PDF (862.5 KB)
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Article
Diffusivity of CH4 In Model Silica Nanopores: Molecular Dynamics and Quasichemical Mean Field Theory
George K. Papadopoulos
Pages: 57-66
Published online: 16 Aug 2006
AbstractforDiffusivity of CH4 In Model Silica Nanopores: Molecular Dynamics and Quasichemical Mean Field Theory | Full Text | References | PDF (192.8 KB)
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Article
Note: NAMD–LP: Filtering and Translating NAMD-generated Files
Eric T. Williams, Cheri M. Turman & Henry W. Strobel
Pages: 67-68
Published online: 16 Aug 2006
CitationforNote: NAMD–LP: Filtering and Translating NAMD-generated Files | Full Text | References | PDF (44.4 KB)
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