REACTION FIELD FACTORS FOR A MULTIPOLE DISTRIBUTION IN A CAVITY SURROUNDED BY A CONTINUUM

被引：89

作者：

DILLET, V

RINALDI, D

ANGYAN, JG

RIVAIL, JL

机构：

[1] Laboratoire de Chimie Théorique1 1 UA No. 510, CNRS., Université de Nancy I, 54506 Vandæuvre-les-Nancy Cedex

来源：

CHEMICAL PHYSICS LETTERS | 1993年 / 202卷 / 1-2期

关键词：

D O I：

10.1016/0009-2614(93)85344-N

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 reaction field factors appear in the generalization of the Kirkwood model of solvation for a molecule imbedded in a cavity surrounded by a dielectric continuum. A general algorithm is proposed to compute these factors for a distributed multipole analysis of the charge distribution of the solute.

引用

页码：18 / 22

页数：5

共 23 条

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