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Molecular Simulation Volume 8, 1992 - Issue 3-5
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Original Articles

Anisotropic Site-Site Potentials in Molecular Dynamics

P. M. Rodger Department of Chemistry, The University of Reading
,
A. J. Stone University Chemical Laboratories, Lensfield Road, Cambridge, CB2 1EW, UK
&
D. J. Tildesley Department of Chemistry, The University, Southampton, SO9 5NH, UK
Pages 145-164 | Received 01 Jun 1991, Accepted 01 Jul 1991, Published online: 23 Sep 2006

Citations (13)

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Read on this site (3)

M. Leslie. (2008) DL_MULTI—A molecular dynamics program to use distributed multipole electrostatic models to simulate the dynamics of organic crystals. Molecular Physics 106:12-13, pages 1567-1578.
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G. Galassi & D.J. Tildesley. (1994) Phase Diagrams of Diatomic Molecules Using the Gibbs Ensemble Monte Carlo Method. Molecular Simulation 13:1, pages 11-24.
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P. Mark Rodger. (1992) Molecular dynamics with anisotropic site potentials: butane. Molecular Physics 76:6, pages 1385-1396.
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Articles from other publishers (10)

Yue Peng & Xinping Long. (2022) Study on anisotropic effect correction term of Virial–Peng–Long equation of state. AIP Advances 12:11, pages 115014.
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Ioannis Tanis, Bernard Rousseau, Laurent Soulard & Claire A. Lemarchand. (2021) Assessment of an anisotropic coarse-grained model for cis -1,4-polybutadiene: a bottom-up approach . Soft Matter 17:3, pages 621-636.
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D. S. Kosov & P. L. A. Popelier. (2000) Convergence of the multipole expansion for electrostatic potentials of finite topological atoms. The Journal of Chemical Physics 113:10, pages 3969-3974.
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Sarah L. Price. 2000. Reviews in Computational Chemistry. Reviews in Computational Chemistry 225 289 .
Martin Lı́sal & Karel Aim. (1999) Vapor–liquid equilibrium, fluid state, and zero-pressure solid properties of chlorine from anisotropic interaction potential by molecular dynamics. Fluid Phase Equilibria 161:2, pages 241-256.
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Bin Chen & J. Ilja Siepmann. (1999) Transferable Potentials for Phase Equilibria. 3. Explicit-Hydrogen Description of Normal Alkanes. The Journal of Physical Chemistry B 103:25, pages 5370-5379.
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Marcus G. Martin & J. Ilja Siepmann. (1998) Transferable Potentials for Phase Equilibria. 1. United-Atom Description of n -Alkanes . The Journal of Physical Chemistry B 102:14, pages 2569-2577.
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Andrew W. Meredith & Anthony J. Stone. (1998) An ab Initio and Diffusion Monte Carlo Study of the Potential Energy Surface of the CO Dimer . The Journal of Physical Chemistry A 102:2, pages 434-445.
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David J. Wales, Paul L. A. Popelier & Anthony J. Stone. (1995) Potential energy surfaces of van der Waals complexes of water and hydrogen halides modeled using distributed multipoles. The Journal of Chemical Physics 102:13, pages 5551-5565.
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N. A. Busch, Y. C. Chiew, M. L. Yarmush & M. S. Wertheim. (2004) Development and validation of a simple antigen–antibody model. AIChE Journal 41:4, pages 974-984.
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