MOLECULAR-STRUCTURE OF LITHIUM-NITRATE AS DETERMINED BY ABINITIO CALCULATIONS

被引：23

作者：

ALMLOF, J ^{[1
]}

ISCHENKO, AA ^{[1
]}

机构：

[1] MV LOMONOSOV STATE UNIV, DEPT CHEM, MOSCOW 117234, USSR

来源：

CHEMICAL PHYSICS LETTERS | 1979年 / 61卷 / 01期

关键词：

D O I：

10.1016/0009-2614(79)85089-7

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：

Ab initio SCF and MC SCF calculations have been carried out for LiNO3 in order to establish the potential function for molecular motion. Particular interest has been focused onto the possibility of a polytopic bond, i.e. a situation in which the Li atom can take several alternative bonding sites in the molecule. © 1979.

引用

页码：79 / 82

页数：4

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