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.
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页码：262 / &
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