Molecular dynamics simulations of water/metal and water/vacuum interfaces with a polarizable water model

被引：34
|
作者：
Kohlmeyer, A
Witschel, W
Spohr, E
机构：
[1] Department of Theoretical Chemistry, University of Ulm, D-89069 Ulm
来源：
CHEMICAL PHYSICS | 1996年 / 213卷 / 1-3期
关键词：
D O I：
10.1016/S0301-0104(96)00251-0
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
We report results of a comparative computer simulation study of polarizable and non-polarizable water near realistic metal surfaces. The simulations indicate that the explicit treatment of molecular polarizability does not significantly alter the interfacial structure.
引用
收藏
页码：211 / 216
页数：6
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