Journal
JOURNAL OF PHYSICAL CHEMISTRY B
Volume 108, Issue 22, Pages 7412-7414Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp0495242
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Using the Gibbs ensemble Monte Carlo simulations, we have determined vapor-liquid equilibria in a new, reparametrized five-site model (TIP5P-E) of water and compared them with the original TIP5P model of Mahoney and Jorgensen and TIP4P water. It is shown that for vapor-liquid equilibria properties, the new model provides only a marginal improvement over the original model and both models are considerably inferior to the TIP4P model.
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