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Molecular Simulation Volume 5, 1990 - Issue 3-4
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Original Articles

Molecular Dynamics Simulations with Interaction Potentials Including Polarization Development of a Noniterative Method and Application to Water

T. P. Straatsma Chemistry Department, University of Houston, 4800 Calhoun Road, Houston, Texas, 77204-5641, USA
&
J. A. McCammon Chemistry Department, University of Houston, 4800 Calhoun Road, Houston, Texas, 77204-5641, USA
Pages 181-192 | Received 01 Sep 1989, Accepted 01 Nov 1989, Published online: 23 Sep 2006

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Ioannis N. Tsimpanogiannis, Othonas A. Moultos, Luís F. M. Franco, Marcelle B. de M. Spera, Máté Erdős & Ioannis G. Economou. (2019) Self-diffusion coefficient of bulk and confined water: a critical review of classical molecular simulation studies. Molecular Simulation 45:4-5, pages 425-453.
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Victor H. Rusu, Stephan Bachmann & Wilfred F. van Gunsteren. (2016) GROMOS polarisable model for acetone. Molecular Physics 114:6, pages 845-854.
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Zhixiong Lin, Nathan Schmid & Wilfred F. van Gunsteren. (2011) The effect of using a polarizable solvent model upon the folding equilibrium of different β-peptides. Molecular Physics 109:4, pages 493-506.
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Anna-Pitschna E. Kunz, Andreas P. Eichenberger & Wilfred F. van Gunsteren. (2011) A simple, efficient polarizable molecular model for liquid carbon tetrachloride. Molecular Physics 109:3, pages 365-372.
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Zhixiong Lin, Anna-Pitschna Kunz & Wilfred F. van Gunsteren. (2010) A one-site polarizable model for liquid chloroform: COS/C. Molecular Physics 108:13, pages 1749-1757.
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D. P. Geerke & W. F. van Gunsteren. (2007) The performance of non-polarizable and polarizable force-field parameter sets for ethylene glycol in molecular dynamics simulations of the pure liquid and its aqueous mixtures. Molecular Physics 105:13-14, pages 1861-1881.
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Francisco Torrens. (2000) Polarization Force Fields for Peptides Implemented in ECEPP2 and MM2. Molecular Simulation 24:4-6, pages 391-410.
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TOMÁŠ BOUBLÍK & JOCHEN WINKELMANN. (1999) Perturbation theory for fluids of non-spherical polarizable dipolar molecules. Molecular Physics 96:3, pages 435-441.
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CHRISTIAN KRIEBEL JOCHEN WINKELMANN. (1998) Simulation studies on mixtures of polarizable dipolar and polarizable non-polar linear molecules. Molecular Physics 93:2, pages 347-353.
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CHRISTIAN KRIEBEL. (1996) Thermodynamic properties of polarizable Stockmayer fluids: perturbation theory and simulation. Molecular Physics 88:2, pages 559-578.
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P. Jedlovszky & G. Pálinkás. (1995) Monte Carlo simulation of liquid acetone with a polarizable molecular model. Molecular Physics 84:2, pages 217-233.
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