Molecular Simulation, Volume 13, Issue 6 (1994)

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Molecular Simulation, Volume 13, Issue 6 (1994)

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Original Articles

Article
A CFF 91-based Continuum Solvation Model: Solvation Free Energies of Small Organic Molecules and Conformations of the Alanine Dipeptide in Solution
A. B. Schmidt & R. M. Fine
Pages: 347-365
Published online: 23 Sep 2006
AbstractforA CFF 91-based Continuum Solvation Model: Solvation Free Energies of Small Organic Molecules and Conformations of the Alanine Dipeptide in Solution | References | PDF (1 MB)
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Article
The Virial of Angle Dependent Potentials in Molecular Dynamics Simulations
H. Bekker & P. Ahlström
Pages: 367-374
Published online: 23 Sep 2006
AbstractforThe Virial of Angle Dependent Potentials in Molecular Dynamics Simulations | References | PDF (401.9 KB)
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Article
A Parallel Algorithm for Nonequilibrium Molecular Dynamics Simulation of Shear Flow on Distributed Memory Machines
David P. Hansen & Denis J. Evans
Pages: 375-393
Published online: 23 Sep 2006
AbstractforA Parallel Algorithm for Nonequilibrium Molecular Dynamics Simulation of Shear Flow on Distributed Memory Machines | References | PDF (898.5 KB)
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Article
A Non-Iterative Matrix Method for Constraint Molecular Dynamics Simulations
Makoto Yoneya, H. J. C. Berendsen & Kootaro Hirasawa
Pages: 395-405
Published online: 23 Sep 2006
AbstractforA Non-Iterative Matrix Method for Constraint Molecular Dynamics Simulations | References | PDF (538.5 KB)
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Editorials

Editorial
Editorial board page for “Molecular Simulation”, Volume 13, Number 6
Page: a
Published online: 23 Sep 2006
AbstractforEditorial board page for “Molecular Simulation”, Volume 13, Number 6 | PDF (48.6 KB)
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