SCMEH-MO calculations on Cr2 and Mo2 molecules

被引:15
作者
Boudreaux, EA [1 ]
Baxter, E [1 ]
机构
[1] Univ New Orleans, Dept Chem, New Orleans, LA 70148 USA
关键词
SCMEH-MO calculations; Slater-type orbital functions; antiferromagnetic coupling;
D O I
10.1002/qua.1539
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:509 / 513
页数:5
相关论文
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    [J]. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1999, 487 (1-2): : 177 - 182