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Molecular Simulation Volume 2, 1989 - Issue 3
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Original Articles

The Dielectric Constant of the TIP4P and SPC Point Charge Models for Water at Ordinary and High Temperatures

Heather Gordon Guelph-Waterloo Centre for Graduate Work in Chemistry, Guelph Campus, University of Guelph, Guelph, Ontario, Canada, N1G 2W1
&
Saul Goldman Guelph-Waterloo Centre for Graduate Work in Chemistry, Guelph Campus, University of Guelph, Guelph, Ontario, Canada, N1G 2W1
Pages 177-187 | Received 01 Jul 1988, Published online: 23 Sep 2006

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JIŘÍ KOLAFA & IVO NEZBEDA. (2000) Effect of short and long range forces on the structure of water. II. Orientational ordering and the dielectric constant. Molecular Physics 98:19, pages 1505-1520.
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B. GARZÓN, S. LAGO & C. VEGA. (1999) Monte Carlo simulations of dipolar and quadrupolar linear Kihara fluids. A test of thermodynamic perturbation theory. Molecular Physics 96:1, pages 123-132.
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TomaszA. Wesołowski. (1991) Estimation of Free Energy Systematic Errors in Molecular Simulations of Globular Proteins Surrounded by Finite Water Clusters. One Center Multipole Expansion of Reaction Field Differences. Molecular Simulation 6:1-3, pages 175-184.
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Articles from other publishers (15)

Maximilian Kohns, Joshua Marx & Kai Langenbach. (2021) Critical assessment of perturbation theories for the relative permittivity of dipolar model fluids. Chemical Engineering Science 245, pages 116875.
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Kimia Montazeri, Shuai Hao, Mohammad Javad Abdolhosseini Qomi & Yoonjin Won. (2020) Molecular Dynamics Investigation of Liquid and Vapor Interactions Near an Evaporating Interface: A Theoretical Genetics Perspective. Advanced Theory and Simulations 3:7, pages 2000017.
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Noriyuki Yoshii, Shinichi Miura & Susumu Okazaki. (2001) A molecular dynamics study of dielectric constant of water from ambient to sub- and supercritical conditions using a fluctuating-charge potential model. Chemical Physics Letters 345:1-2, pages 195-200.
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Peter Graf & Abraham Nitzan. (1998) Numerical simulations of solvation in simple polar fluids: dependence on the thermodynamic state below and above the critical point. Chemical Physics 235:1-3, pages 297-312.
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R.L SmithJr.Jr., S.B Lee, H Komori & K Arai. (1998) Relative permittivity and dielectric relaxation in aqueous alcohol solutions. Fluid Phase Equilibria 144:1-2, pages 315-322.
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Dorita Rostkier-Edelstein, Peter Graf & Abraham Nitzan. (1997) Computing vibrational energy relaxation for high-frequency modes in condensed environments. The Journal of Chemical Physics 107:24, pages 10470-10479.
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S. Lago, B. Garzón, S. Calero & C. Vega. (1997) Accurate Simulations of the Vapor−Liquid Equilibrium of Important Organic Solvents and Other Diatomics. The Journal of Physical Chemistry B 101:34, pages 6763-6771.
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Evgeny Wasserman, Bernard Wood & John Brodhol. (1995) The static dielectric constant of water at pressures up to 20 kbar and temperatures to 1273 K: Experiment, simulations, and empirical equations. Geochimica et Cosmochimica Acta 59:1, pages 1-6.
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Benito Garzón, Santiago Lago & Carlos Vega. (1994) Reaction field simulations of the vapor-liquid equilibria of dipolar fluids. Chemical Physics Letters 231:4-6, pages 366-372.
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Evgeny Wasserman, Bernard Wood & John Brodholt. (2010) Molecular dynamics study of the dielectric constant of water under high pressure and temperature conditions. Berichte der Bunsengesellschaft für physikalische Chemie 98:7, pages 906-911.
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Pedro L. Muiño & Patrik R. Callis. (1994) Hybrid simulations of solvation effects on electronic spectra: Indoles in water. The Journal of Chemical Physics 100:6, pages 4093-4109.
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Saul Goldman & Chris Joslin. (1993) The static dielectric constant of SPC and TIP4P water by perturbation theory. The Journal of Chemical Physics 99:4, pages 3021-3029.
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H.D. Cochran, P.T. Cummings & S. Karaborni. (1992) Solvation in supercritical water. Fluid Phase Equilibria 71:1-2, pages 1-16.
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Dominique Levesque & Jean Jarques Weis. 1992. The Monte Carlo Method in Condensed Matter Physics. The Monte Carlo Method in Condensed Matter Physics 121 204 .
R. Frattini, M. A. Ricci, G. Ruocco & M. Sampoli. (1990) Temperature evolution of single particle correlation functions of liquid water. The Journal of Chemical Physics 92:4, pages 2540-2547.
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