Molecular Simulation, Volume 30, Issue 10 (2004)

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Molecular Simulation, Volume 30, Issue 10 (2004)

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Original Articles

Article
Application of Gibbs Ensemble and NPT Monte Carlo Simulation to the Development of Improved Processes for H2S-rich Gases
Philippe Ungerer, Aurélie Wender, Grégoire Demoulin, Émeric Bourasseau & Pascal Mougin
Pages: 631-648
Published online: 31 Jan 2007
AbstractforApplication of Gibbs Ensemble and NPT Monte Carlo Simulation to the Development of Improved Processes for H2S-rich Gases | Full Text | References | PDF (375.1 KB)
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Article
The Transport of an Ion through a Channel Formed by a Helical Electroactive Polymer
Robert O'Farrell, Sadhbh O'dwyer & D.A. Morton-Blake
Pages: 649-659
Published online: 31 Jan 2007
AbstractforThe Transport of an Ion through a Channel Formed by a Helical Electroactive Polymer | Full Text | References | PDF (1.1 MB)
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Article
Atomistic Simulations of Rare Gas Transport through Breathable Single-wall Nanotubes with Constrictions and Knees
M.W. Roth & J. Mesentseva
Pages: 661-667
Published online: 31 Jan 2007
AbstractforAtomistic Simulations of Rare Gas Transport through Breathable Single-wall Nanotubes with Constrictions and Knees | Full Text | References | PDF (295.7 KB)
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Article
Molecular Dynamics Simulation Studies of the Limiting Conductances of CaCl2 using Extended Simple Point Charge and Revised Polarizable Models
Song Hi Lee
Pages: 669-678
Published online: 31 Jan 2007
AbstractforMolecular Dynamics Simulation Studies of the Limiting Conductances of CaCl2 using Extended Simple Point Charge and Revised Polarizable Models | Full Text | References | PDF (158.7 KB)
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Article
Structures and Energetics of Platinum–Cobalt Bimetallic Clusters
Yu Hang Chui & Kwong-Yu Chan
Pages: 679-690
Published online: 31 Jan 2007
AbstractforStructures and Energetics of Platinum–Cobalt Bimetallic Clusters | Full Text | References | PDF (493.6 KB)
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Article
QSAR Modeling ANTI-HIV-1 Activities by Optimization of Correlation Weights of Local Graph Invariants
E.A. Castro, F. Torrens, A.A. Toropov, I.V. Nesterov & O.M. Nabiev
Pages: 691-696
Published online: 31 Jan 2007
AbstractforQSAR Modeling ANTI-HIV-1 Activities by Optimization of Correlation Weights of Local Graph Invariants | Full Text | References | PDF (98.6 KB)
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