MOLECULAR ORBITAL THEORY OF ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS .5. MOLECULAR THEORY OF BOND SEPARATION

被引：1083

作者：

HEHRE, WJ

DITCHFIELD, R

RADOM, L

POPLE, JA

机构：

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1970年 / 92卷 / 16期

关键词：

D O I：

10.1021/ja00719a006

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

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页码：4796 / +

页数：1

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[1] SELF-CONSISTENT MOLECULAR ORBITAL METHODS .6. ENERGY OPTIMIZED GAUSSIAN ATOMIC ORBITALS
DITCHFIELD, R
HEHRE, WJ
POPLE, JA
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[2] DITCHFIELD R, IN PRESS
[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 .3. AB-INITIO STUDIES OF CHARGE DISTRIBUTION USING A MINIMAL SLATER-TYPE BASIS
HEHRE, WJ
POPLE, JA
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[5] HEHRE WJ, IN PRESS
[6] SELF-CONSISTENT MOLECULAR ORBITAL METHODS .5. AB-INITIO CALCULATION EQUILIBRIUM GEOMETRIES AND QUADRATIC FORCE CONSTANTS
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[7] NEW DEVELOPMENTS IN MOLECULAR ORBITAL THEORY
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[8] HEATS OF REACTION FROM SELF-CONSISTENT FIELD ENERGIES OF CLOSED-SHELL MOLECULES
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[9] HEATS OF REACTION FROM HARTREE-FOCK ENERGIES OF CLOSED-SHELL MOLECULES
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