The missing term in effective pair poten
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Berendsen, H. J. C.; Grigera, J. R.; Straatsma, T. P.
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Article
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1987
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American Chemical Society
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English
β 377 KB
Effective pair potentials used for simulations of polar liquids include the average effects of polarization. Such potentials are generally adjusted to produce the experimental heat of vaporization. It has not been recognized before that the self-energy term inherent in any polarizable model should b