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Computer simulation of a water/membrane interface

โœ Scribed by Berkowitz, Max L.; Raghavan, K.


Book ID
126942873
Publisher
American Chemical Society
Year
1991
Tongue
English
Weight
341 KB
Volume
7
Category
Article
ISSN
0743-7463

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The results of Molecular Dynamics simulations of a water lamella between platinum crystals and of water on a Pt(100) surface for different degrees of coverage are reported. The flexible BJH model of water is employed and the Pt-water interaction potential is derived from extended Hiickel molecular o