INVARIANCE PRINCIPLE IN APPROXIMATE MOLECULAR-ORBITAL THEORIES

被引：8

作者：

COOK, DB ^{[1
]}

机构：

[1] UNIV SHEFFIELD, DEPT CHEM, SHEFFIELD S3 7HF, ENGLAND

来源：

THEORETICA CHIMICA ACTA | 1975年 / 40卷 / 04期

关键词：

D O I：

10.1007/BF00668335

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：297 / 302

页数：6

共 12 条

[1]

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[4]

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[5] CONFIGURATION MIXING INVOLVING SIGMA AND PI ORBITALS .2. EFFECT OF DOUBLY EXCITED CONFIGURATIONS ON ENERGY VALUES IN CNDO METHOD [J].

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PULLMAN, A .

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[6]

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[8] CRITERIA FOR BOND ORBITALS AND OPTIMUM HYBRIDS [J].

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DELRE, G .

THEORETICA CHIMICA ACTA, 1968, 10 (01) :13-&

[9] APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .I. INVARIANT PROCEDURES [J].

POPLE, JA ;

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SEGAL, GA .

JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10) :S129-+

[10] APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .2. CALCULATIONS WITH COMPLETE NEGLECT OF DIFFERENTIAL OVERLAP [J].

POPLE, JA ;

SEGAL, GA .

JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10) :S136-+

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