EXTENDED BASIS SET STUDIES OF HYDROCARBON MOLECULAR-ORBITAL ENERGIES

被引：43

作者：

BINKLEY, JS

POPLE, JA

HEHRE, WJ

机构：

[1] CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213

[2] UNIV CALIF,DEPT CHEM,IRVINE,CA 92664

来源：

CHEMICAL PHYSICS LETTERS | 1975年 / 36卷 / 01期

关键词：

D O I：

10.1016/0009-2614(75)85672-7

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：1 / 5

页数：5

共 15 条

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[6] MOLECULAR ORBITAL THEORY OF ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS .5. MOLECULAR THEORY OF BOND SEPARATION [J].

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[7] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .12. FURTHER EXTENSIONS OF GAUSSIAN-TYPE BASIS SETS FOR USE IN MOLECULAR-ORBITAL STUDIES OF ORGANIC-MOLECULES [J].

HEHRE, WJ ;

DITCHFIELD, R ;

POPLE, JA .

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[8]

HEHRE WJ, TO BE PUBLISHED

[9]

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[10]

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