Calculation of dipole moments of some heterocyclic molecules by the CNDO molecular orbital method

被引：10

作者：

Hush, N. S. ^{[1
]}

Yandle, J. R. ^{[1
]}

机构：

[1] Univ Bristol, Dept Inorgan Chem, Bristol BS8 1TS, Avon, England

来源：

CHEMICAL PHYSICS LETTERS | 1967年 / 1卷 / 10期

关键词：

D O I：

10.1016/0009-2614(67)85086-3

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：

Dipole moments of furan, pyrrole, pyridine, pyrimidine and pyridazine have been calculated by the CNDO/II approximate SCF molecular orbital method, with experimental or assumed molecular geometry. The absolute values are in good agreement with experimental data.

引用

页码：493 / 494

页数：2

共 16 条

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