THE USE OF PARTIALLY RESTRICTED MOLECULAR-ORBITALS TO INVESTIGATE TRANSMISSION MECHANISMS OF SPIN SPIN COUPLING-CONSTANTS .2. THE SIGMA-CONTRIBUTION AND PI-CONTRIBUTION TO THE FERMI CONTACT, ORBITAL, AND SPIN DIPOLAR TERMS OF SCPT INDO C-C COUPLING-CONSTANTS

被引:43
作者
ENGELMANN, AR [1 ]
SCUSERIA, GE [1 ]
CONTRERAS, RH [1 ]
机构
[1] UNIV BUENOS AIRES,FAC CIENCIAS EXACTAS & NAT,DEPT FIS,RA-1428 BUENOS AIRES,ARGENTINA
关键词
D O I
10.1016/0022-2364(82)90028-2
中图分类号
Q5 [生物化学];
学科分类号
071010 ; 081704 ;
摘要
引用
收藏
页码:21 / 29
页数:9
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