LCAO MOLECULAR ORBITAL COMPUTATION OF RESONANCE ENERGIES OF BENZENE AND BUTADIENE, WITH GENERAL ANALYSIS OF THEORETICAL VERSUS THERMOCHEMICAL RESONANCE ENERGIES

被引：115

作者：

MULLIKEN, RS

PARR, RG

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1951年 / 19卷 / 10期

关键词：

D O I：

10.1063/1.1748011

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：1271 / 1278

页数：8

相关论文

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[19] LCAO SELF-CONSISTENT FIELD CALCULATION OF THE PI-ELECTRON ENERGY LEVELS OF CIS-1,3-BUTADIENE AND TRANS-1,3-BUTADIENE
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