SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .13. EXTENDED GAUSSIAN-TYPE BASIS FOR BORON

被引：234

作者：

HEHRE, WJ

POPLE, JA

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1972年 / 56卷 / 08期

关键词：

D O I：

10.1063/1.1677844

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：

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页码：4233 / &

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[1] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES
DITCHFIELD, R
HEHRE, WJ
POPLE, JA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) : 724 - +
[2] MOLECULAR ORBITAL THEORY OF ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS .5. MOLECULAR THEORY OF BOND SEPARATION
HEHRE, WJ
DITCHFIELD, R
RADOM, L
POPLE, JA
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (16) : 4796 - +
[3] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .I. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS
HEHRE, WJ
STEWART, RF
POPLE, JA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (06) : 2657 - +
[4] MOLECULAR ORBITAL THEORY OF ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS .8. GEOMETRIES, ENERGIES, AND POLARITIES OF C3 HYDROCARBONS
RADOM, L
LATHAN, WA
HEHRE, WJ
POPLE, JA
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1971, 93 (21) : 5339 - &