DIPOLE-MOMENTS OF WATER AGGREGATES ACCORDING TO THE POLARIZATION MODEL

被引：10

作者：

DAVID, CW

机构：

[1] Department of Chemistry. University of Connecticut, Storrs

来源：

CHEMICAL PHYSICS | 1979年 / 40卷 / 1-2期

关键词：

D O I：

10.1016/0301-0104(79)85135-6

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：

Polarization model on water dimer and octomers (in the ice Ic configuration) which further support the credibility of the model for use in molecular dynamic and Monte Carlo simulations are presented. Some problems with the current parameterization of the model are discussed. © 1979.

引用

页码：229 / 235

页数：7

共 24 条

[1]

Ben-Naim A., 1972, Structure and Transport Processes in Water and Aqueous Solutions

[2]

BERENDSEN HJC, 1972, MOL DYNAMICS MONTE C, P63

[3] USE OF A NON-PAIR-ADDITIVE INTERMOLECULAR POTENTIAL FUNCTION TO FIT QUANTUM-MECHANICAL DATA ON WATER MOLECULE INTERACTIONS [J].