NONEMPIRICAL MOLECULAR ORBITAL THEORY FROM MOLECULAR HARTREE-FOCK THEORY

被引：51

作者：

NEWTON, MD

BOER, FP

PALKE, WE

LIPSCOMB, WN

机构：

来源：

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA | 1965年 / 53卷 / 05期

关键词：

D O I：

10.1073/pnas.53.5.1089

中图分类号：

O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

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页码：1089 / &

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[1] EXTENDED HUCKEL THEORY + MOLECULAR HARTREE-FOCK SCF THEORY
BOER, FP
NEWTON, MD
LIPSCOMB, WN
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[2] AN EXTENDED HUCKEL THEORY .I. HYDROCARBONS
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[3] BORON HYDRIDES - LCAO-MO AND RESONANCE STUDIES
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[4] THEORY OF POLYHEDRAL MOLECULES .3. POPULATION ANALYSES AND REACTIVITIES FOR CARBORANES
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1962, 36 (12) : 3489 - &
[5] THEORY OF POLYHEDRAL MOLECULES .1. PHYSICAL FACTORIZATIONS OF SECULAR EQUATION
HOFFMANN, R
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1962, 36 (08) : 2179 - &
[6] ELECTRONIC POPULATION ANALYSIS ON LCAO-MO MOLECULAR WAVE FUNCTIONS .1.
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (10) : 1833 - 1840
[7] *QUELQUES ASPECTS DE LA THEORIE DES ORBITALES MOLECULAIRES (SUITE ET FIN)
MULLIKEN, RS
[J]. JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE, 1949, 46 (11-1) : 675 - 713
[8] *QUELQUES ASPECTS DE LA THEORIE DES ORBITALES MOLECULAIRES
MULLIKEN, RS
[J]. JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE, 1949, 46 (9-10) : 497 - 542
[9] ELECTRONIC POPULATION ANALYSIS ON LCAO-MO MOLECULAR WAVE FUNCTIONS .4. BONDING AND ANTIBONDING IN LCAO AND VALENCE-BOND THEORIES
MULLIKEN, RS
[J]. JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (12) : 2343 - 2346
[10] ELECTRONIC POPULATION ANALYSIS ON LCAO-MO MOLECULAR WAVE FUNCTIONS .2. OVERLAP POPULATIONS, BOND ORDERS, AND COVALENT BOND ENERGIES
MULLIKEN, RS
[J]. JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (10) : 1841 - 1846