SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .8. MOLECULAR STUDIES WITH LEAST ENERGY MINIMAL ATOMIC ORBITALS

被引：34

作者：

HEHRE, WJ

DITCHFIE.R

POPLE, JA

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1970年 / 53卷 / 03期

关键词：

D O I：

10.1063/1.1674159

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

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页码：932 / &

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[1] QUANTUM THEORY OF STRUCTURE AND DYNAMICS
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[2] SELF-CONSISTENT MOLECULAR ORBITAL METHODS .6. ENERGY OPTIMIZED GAUSSIAN ATOMIC ORBITALS
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[3] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .I. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS
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[4] SELF-CONSISTENT MOLECULAR ORBITAL METHODS .4. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ORBITALS - EXTENSION TO SECOND-ROW MOLECULES
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[7] ELECTRONIC POPULATION ANALYSIS ON LCAO-MO MOLECULAR WAVE FUNCTIONS .2. OVERLAP POPULATIONS, BOND ORDERS, AND COVALENT BOND ENERGIES
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[8] ELECTRONIC POPULATION ANALYSIS ON LCAO-MO MOLECULAR WAVE FUNCTIONS .3. EFFECTS OF HYBRIDIZATION ON OVERLAP AND GROSS AO POPULATIONS
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (12) : 2338 - 2342
[9] MOLECULAR ORBITAL THEORY OF ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS .1. SUBSTITUENT EFFECTS AND DIPOLE MOMENTS
POPLE, JA
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[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1967, 89 (17) : 4253 - &
[10] SELF-CONSISTENT ORBITALS FOR RADICALS
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1954, 22 (03) : 571 - 572