MOLECULAR-INTERACTIONS IN A HOMOGENEOUS ELECTRIC-FIELD - THE (HF)2 COMPLEX

被引：7

作者：

ALAGONA, G

CAMMI, R

GHIO, C

TOMASI, J

机构：

[1] UNIV PARMA, IST CHIM FIS, I-43100 PARMA, ITALY

[2] DIPARTIMENTO CHIM & CHIM IND, I-56126 PISA, ITALY

来源：

THEORETICA CHIMICA ACTA | 1993年 / 85卷 / 1-3期

关键词：

HYDROGEN BOND; EXTERNAL ELECTRIC FIELD; BSSE CORRECTIONS; ENVIRONMENTAL EFFECTS;

D O I：

10.1007/BF01374586

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 interaction energy of two HF molecules, subjected to a static external field, is analyzed. The analysis aims at the elaboration of simple expressions able to reproduce environmental and substitution effects on noncovalent molecular interactions.

引用

页码：167 / 187

页数：21

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