Ionization potentials by the CNDO/2 method

被引：66

作者：

Davies, D. W. ^{[1
]}

机构：

[1] Univ Birmingham, Dept Chem, Birmingham 15, W Midlands, England

来源：

CHEMICAL PHYSICS LETTERS | 1968年 / 2卷 / 03期

关键词：

D O I：

10.1016/0009-2614(68)85034-1

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：

Ionization potentials calculated by the valency electron self-consistent molecular method CNDO/2 for BF(3). HCHO, O(3), N(2), CO, the fluoromethanes, and some fluorobenzenes are compared with experimental values obtained by photo-electron and ultraviolet spectroscopy.

引用

页码：173 / 175

页数：3

共 26 条

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