Indo molecular orbital calculation of anisotropic hyperfine coupling constants

被引:7
作者
Beveridge, David L. [1 ]
McIver, James W., Jr.
机构
[1] Mt Sinai Sch Med, Dept Pharmacol, New York, NY 10029 USA
[2] CUNY Hunter Coll, Dept Chem, New York, NY 10021 USA
[3] SUNY Coll Buffalo, Dept Chem, Buffalo, NY 14222 USA
关键词
D O I
10.1016/0009-2614(69)80074-6
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
The calculation of electron-nuclear hyperfine tensors for free radicals using INDO molecular orbital theory is discussed, together with some illustrative results on radicaloid derivatives of malonic acid.
引用
收藏
页码:126 / 128
页数:3
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