Simple lcao mo calculations of the spin densities for radical ions of conjugated hydrocarbons with modified Mclachlan's method

被引：6

作者：

Nowakowski, J. ^{[1
]}

机构：

[1] Czechoslovak Acad Sci, Inst Phys Chem, Prague, Czech Republic

来源：

CHEMICAL PHYSICS LETTERS | 1968年 / 2卷 / 05期

关键词：

D O I：

10.1016/0009-2614(68)80077-6

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：

A modification of the original McLachlan's method is suggested, which leads to a different value of the parameter lambda appearing in this method and which essentially improves the agreement with experiment.

引用

页码：289 / 292

页数：4

共 14 条

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