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

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页码：211 / 216

页数：6

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