Hydrophobic solvation of methane and non
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Yaxiong Sun; Peter A. Kollman
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Article
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1995
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John Wiley and Sons
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English
β 506 KB
In the process of studying the solvation of simple hydrocarbons, we found that the nonbond van der Waals (vdw) parameters for the TIP3P water model could be adjusted without significantly changing its liquid water properties. By increasing the van der Waals well depth E from 0.152 kcal/mol for the T