A CNDO AND INDO CALCULATION OF NUCLEAR SPIN-SPIN COUPLING CONSTANTS IN HF HF-2 AND H2F-3

被引：8

作者：

AZMAN, A

BORSTNIK, B

KOLLER, J

机构：

[1] University Chemical Laboratory and Institute 'Boris Kidrič', Ljubljana

来源：

THEORETICA CHIMICA ACTA | 1969年 / 13卷 / 03期

关键词：

D O I：

10.1007/BF01171768

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：

Two semiempirically SCF methods are used to calculate nuclear spin-spin coupling constants in hydrogen bonded systems. Hydrogen bonding is found to influence strongly the spin-spin coupling constants and this can give valuable informations about changes in electron densities with hydrogen bonding. © 1969 Springer-Verlag.

引用

页码：262 / &

共 7 条

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