A variable charge central force model for water and its ionic dissociation products

被引:25
作者
David, CW
机构
[1] Department of Chemistry, University of Connecticut, Storrs
关键词
D O I
10.1063/1.471438
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
The Central Force Model for water is adjusted to contain features of the Polarization Model for water and its ionic dissociation products. An ''electronegativity'' term which permits charge transfer between dissimilar moieties (protons and oxide ions in the water system) is introduced. A parameterization of this new Variable Charge Central Force Model (VCCF) is presented, and results on water and hydroxide ion are presented which support the view that some damage has occurred, and some improvement has been accomplished. (C) 1996 American Institute of Physics.
引用
收藏
页码:7255 / 7260
页数:6
相关论文
共 60 条