STUDY OF REACTION-MECHANISMS BY SEMIEMPIRICAL METHODS .1. OPTIMIZATION OF GEOMETRY OF MOLECULE IN FRAMEWORK OF A SINGLE CALCULATION OF ENERGY FUNCTION

被引：86

作者：

PANCIR, J ^{[1
]}

机构：

[1] CZECHOSLOVAK ACAD SCI, J HEYROVSKY INST PHYS CHEM & ELECTROCHEM, PRAGUE 2, CZECHOSLOVAKIA

来源：

THEORETICA CHIMICA ACTA | 1973年 / 29卷 / 01期

关键词：

D O I：

10.1007/BF00528164

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

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页码：21 / 28

页数：8

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