Spin density properties from the electron propagator: Hyperfine and nuclear spin-spin couplings

被引:1
|
作者
Longo, RL [1 ]
机构
[1] Univ Fed Pernambuco, Dept Quim Fundamental, BR-50740540 Recife, PE, Brazil
关键词
D O I
10.1016/S0065-3276(08)60455-4
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
引用
收藏
页码:53 / 76
页数:24
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