LOCALIZED MOLECULAR-ORBITALS FOR POLYATOMIC-MOLECULES .1. COMPARISON OF EDMISTON-RUEDENBERG AND BOYS LOCALIZATION METHODS

被引：170

作者：

KLEIER, DA ^{[1
]}

HALGREN, TA ^{[1
]}

HALL, JH ^{[1
]}

LIPSCOMB, WN ^{[1
]}

机构：

[1] HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138

来源：

JOURNAL OF CHEMICAL PHYSICS | 1974年 / 61卷 / 10期

关键词：

D O I：

10.1063/1.1681683

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：3905 / 3919

页数：15

共 47 条

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[22] HALGREN TA, TO BE PUBLISHED
[23] THE MOLECULAR ORBITAL THEORY OF CHEMICAL VALENCY .3. PROPERTIES OF MOLECULAR ORBITALS
HALL, GG
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[J]. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1950, 202 (1069): : 155 - 165
[24] HALL J, TO BE PUBLISHED
[25] SELF-CONSISTENT FIELD WAVE-FUNCTIONS OF BORON HYDRIDES AND IONS - B8H12, B9H15, B6H62-, B10H102-, AND B10H142-
HALL, JH
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LIPSCOMB, WN
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1974, 96 (03) : 770 - 779
[26] AB-INITIO SELF-CONSISTENT-FIELD STUDY OF BORON HALIDES - B4F4 AND B4CL4
HALL, JH
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[J]. INORGANIC CHEMISTRY, 1974, 13 (03) : 710 - 714
[27] THE MOLECULAR ORBITAL THEORY OF CHEMICAL VALENCY .4. THE SIGNIFICANCE OF EQUIVALENT ORBITALS
LENNARDJONES, J
POPLE, JA
[J]. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1950, 202 (1069): : 166 - 180
[28] THE MOLECULAR ORBITAL THEORY OF CHEMICAL VALENCY .9. THE INTERACTION OF PAIRED ELECTRONS IN CHEMICAL BONDS
LENNARDJONES, J
POPLE, JA
[J]. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1951, 210 (1101) : 190 - 206
[29] THE MOLECULAR ORBITAL THEORY OF CHEMICAL VALENCY .1. THE DETERMINATION OF MOLECULAR ORBITALS
LENNARDJONES, J
[J]. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1949, 198 (1052) : 1 - 13
[30] Lipscomb W.N., 2012, BORON HYDRIDES

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