Modified Huckel molecular orbital calculation of nuclear spin coupling constants in simple hydrocarbons and aldehydes

被引：20

作者：

Polezzo, S. ^{[1
]}

Cremaschi, P. ^{[1
]}

Simonetta, M. ^{[1
]}

机构：

[1] Univ Milan, Ist Chim Fis, Milan, Italy

来源：

CHEMICAL PHYSICS LETTERS | 1967年 / 1卷 / 09期

关键词：

D O I：

10.1016/0009-2614(67)80034-4

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：

An iterative modified Huckel method is used to calculate contact contribution to H-H, C-13-H and C-13-C-13 coupling constants in simple hydrocarbons and aldehydes.

引用

页码：357 / 358

页数：2

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