Finite perturbation theory for nuclear spin coupling constants

被引：101

作者：

Pople, J. A. ^{[1
]}

McIver, J. W., Jr. ^{[1
]}

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

机构：

[1] Carnegie Mellon Univ, Dept Chem, Pittsburgh, PA 15213 USA

来源：

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

关键词：

D O I：

10.1016/0009-2614(67)85076-0

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：

Nuclear spin coupling constants are calculated using approximate SCF wavefunctions and a finite perturbation method. The results reproduce many of the experimental features and trends of coupling constants for carbon and hydrogen.

引用

页码：465 / 466

页数：2

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