INTEGRATED SPATIAL ELECTRON POPULATIONS IN MOLECULES - APPLICATION TO SIMPLE MOLECULES

被引：126

作者：

COLLINS, JB ^{[1
]}

STREITWIESER, A ^{[1
]}

机构：

[1] UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720

来源：

JOURNAL OF COMPUTATIONAL CHEMISTRY | 1980年 / 1卷 / 01期

关键词：

D O I：

10.1002/jcc.540010111

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：81 / 87

页数：7

共 32 条

[21] PROPERTIES OF ATOMS IN MOLECULES .5. EASY PROCEDURE FOR ESTIMATING ATOMIC CHARGES FROM CALCULATED CORE-ELECTRON ENERGIES
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[22] PROPERTIES OF ATOMS IN MOLECULES - PROPOSED METHOD FOR CALCULATING EXTENT OF DISTORTION OF AN ATOM
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[J]. CHEMICAL PHYSICS LETTERS, 1973, 23 (03) : 331 - 334
[23] PROPERTIES OF ATOMS IN MOLECULES .3. ATOMIC CHARGES AND CENTERS OF ELECTRONIC CHARGE IN SOME HETERONUCLEAR DIATOMIC MOLECULES
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[J]. THEORETICA CHIMICA ACTA, 1971, 23 (02): : 203 - +
[24] PROPERTIES OF ATOMS IN MOLECULES .1. A PROPOSED DEFINITION OF CHARGE ON AN ATOM IN A MOLECULE
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[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (22) : 6451 - &
[25] CORE REGIONS IN MOLECULES
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1977, 67 (05) : 2385 - 2387
[26] MOLECULAR ORBITAL THEORY OF ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS .2. SPIN DENSITIES IN PARAMAGNETIC SPECIES
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[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1968, 90 (16) : 4201 - &
[27] MOLECULAR ORBITAL THEORY OF ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS .1. SUBSTITUENT EFFECTS AND DIPOLE MOMENTS
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[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1967, 89 (17) : 4253 - &
[28] LCAO MO CALCULATIONS ON MOLECULAR-STRUCTURES .9. AB-INITIO CALCULATIONS ON INTERACTION OF OXYGEN CONTAINING LIGANDS WITH ALKALI CATIONS - SYSTEM H2CO-LI+
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SCHUSTER, P
[J]. CHEMICAL PHYSICS LETTERS, 1973, 19 (02) : 254 - 259
[29] INTEGRATED SPATIAL ELECTRON POPULATIONS IN MOLECULES - ELECTRON PROJECTION FUNCTION
STREITWIESER, A
COLLINS, JB
MCKELVEY, JM
GRIER, D
SENDER, J
TOCZKO, AG
[J]. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1979, 76 (06) : 2499 - 2502
[30] ABINITIO SCF-MO CALCULATIONS OF METHYLLITHIUM AND RELATED SYSTEMS - ABSENCE OF COVALENT CHARACTER IN C-LI BOND
STREITWIESER, A
WILLIAMS, JE
ALEXANDRATOS, S
MCKELVEY, JM
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (16) : 4778 - 4784

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