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Flexible simple point-charge water model with improved liquid-state properties

โœ Scribed by Wu, Yujie; Tepper, Harald L.; Voth, Gregory A.


Book ID
120042917
Publisher
American Institute of Physics
Year
2006
Tongue
English
Weight
878 KB
Volume
124
Category
Article
ISSN
0021-9606

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## Abstract A simultaneous improvement of the diffusion and dielectric properties of the simple point charge (SPC) model for liquid water appears to be very difficult with conventional reparametrization of the commonly used Lennardโ€“Jones and Coulomb interaction functions and without including a sel