ANALYTICAL MCSCF ENERGY GRADIENTS - TREATMENT OF SYMMETRY AND CASSCF APPLICATIONS TO PROPADIENONE

被引：41

作者：

TAYLOR, PR

机构：

来源：

JOURNAL OF COMPUTATIONAL CHEMISTRY | 1984年 / 5卷 / 06期

关键词：

D O I：

10.1002/jcc.540050613

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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页码：589 / 597

页数：9

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