TIP5P-E model of water: Difference between revisions
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Latest revision as of 16:51, 23 February 2010
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The TIP5P-E model is a version of the TIP5P model, re-parameterised for use with Ewald sums. The following table of parameters is taken from Table I of [1].
(Å) (kcal.mol-1) q(H) (e) 3.097 0.178 0.241
Vapour-liquid equilibria[edit]
See [2].
References[edit]
- ↑ Steven W. Rick "A reoptimization of the five-site water potential (TIP5P) for use with Ewald sums", Journal of Chemical Physics 120 6085 (2004)
- ↑ Martin Lísal, Ivo Nezbeda, and William R. Smith "Vapor−Liquid Equilibria in Five-Site (TIP5P) Models of Water", Journal of Physical Chemistry B 108 pp. 7412–7414 (2004)