THEORETICAL STUDY OF SINGLET-TRIPLET AND TRIPLET-TRIPLET SPECTRA .1. SELECTION OF PARAMETERS AND BASIS OF CONFIGURATION INTERACTION IN CLOSED SHELL AND RESTRICTED OPEN-SHELL SEMIEMPIRICAL METHODS

被引：29

作者：

PANCIR, J ^{[1
]}

ZAHRADNIK, R ^{[1
]}

机构：

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

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1973年 / 77卷 / 01期

关键词：

D O I：

10.1021/j100620a023

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

页码：107 / 113

页数：7

共 24 条

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[4] STUDIES IN CONFIGURATION INTERACTION .I. MATRIX ELEMENTS BETWEEN SPIN-COUPLED FUNCTIONS
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[7] ELECTRONIC STRUCTURE OF NON-ALTERNANT HYDROCARBONS THEIR ANALOGUES AND DERIVATIVES .16. PERI-CONDENSED TRICYCLIC SYSTEMS - EFFECTS OF MOLECULAR GEOMETRY AND CHOICE OF MOLECULAR ORBITALS ON CHARACTERISTICS OF ELECTRONIC SPECTRA CALCULATED BY LCI METHOD
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[8] HOIJTINK GJ, 1965, PURE APPL CHEM, V11, P393
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[10] A QUANTUM THEORETICAL STUDY OF SOME N-HETEROAROMATIC COMPOUNDS
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