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
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.
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页码:369 / 373
页数:5
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