FLOATING SPHERICAL GAUSSIAN ORBITAL MODEL FOR POLYMERS .1. GENERAL FORMALISM AND COMPUTATIONAL PROCEDURE

被引：0

作者：

ANDRE, JM ^{[1
]}

DELHALLE, J ^{[1
]}

DEMANET, C ^{[1
]}

LAMBERTGERARD, ME ^{[1
]}

机构：

[1] UNIV NOTRE DAME PAIX,LAB CHIM THEORIQUE APPL,B-5000 NAMUR,BELGIUM

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1976年

关键词：

D O I：

暂无

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：99 / 105

页数：7

共 14 条

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[7]

DELHALLE J, TO BE PUBLISHED

[8] SELF-CONSISTENT-FIELD TIGHT-BINDING TREATMENT OF POLYMERS .I. INFINITE 3-DIMENSIONAL CASE [J].

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PHYSICAL REVIEW, 1967, 155 (03) :997-&

[9] SIMULATED AB-INITIO MOLECULAR-ORBITAL (SAMO) METHOD FOR POLYMERS - POLYETHYLENE AND POLYENE [J].

DUKE, BJ ;

OLEARY, B .

CHEMICAL PHYSICS LETTERS, 1973, 20 (05) :459-463

[10] SIMULATED AB-INITIO MOLECULAR-ORBITAL METHOD FOR POLYMERS - POLYGLYCINE [J].

DUKE, BJ ;

EILERS, JE ;

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CHEMICAL PHYSICS LETTERS, 1975, 32 (03) :602-606

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