ORIGIN OF 3-BODY POTENTIALS IN CLUSTERS OF POLAR-MOLECULES AND IONS

被引：29

作者：

BEYER, A

KARPFEN, A

SCHUSTER, P

机构：

[1] Institut für Theoretische Chemie, Strahclechemie der Universität Wien

来源：

CHEMICAL PHYSICS LETTERS | 1979年 / 67卷 / 2-3期

关键词：

D O I：

10.1016/0009-2614(79)85180-5

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：

SCF-energy partitioning for three ternary intermolecular complexes, (HF)3, Li+(OH2)2 and F-(H2O)2, has been performed in order to obtain more information on the nature of the non-additivities in the energies of complexes. It is found that polarization forces dominate the three-body energies in these polar aggregates. © 1979.

引用

页码：369 / 373

页数：5

共 19 条

[1]

Claverie P., 1978, INTERMOLECULAR INTER, P69

[2] NON-EMPIRICAL STUDY OF HYDROGEN BOND BETWEEN PEPTIDE UNITS [J].