AB-INITIO VALENCE BOND CALCULATION OF BENZENE

被引：27

作者：

NORBECK, JM ^{[1
]}

GALLUP, GA ^{[1
]}

机构：

[1] UNIV NEBRASKA,DEPT CHEM,LINCOLN,NB 68508

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1973年 / 95卷 / 13期

关键词：

D O I：

10.1021/ja00794a074

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：4460 / 4461

页数：2

共 10 条

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[3] POLAR STRUCTURES IN THE THEORY OF CONJUGATED MOLECULES .3. THE ENERGY LEVELS OF BENZENE [J].

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[4] VALENCE-BOND CALCULATIONS AND MATRIX-ELEMENTS BETWEEN 2 TABLEAU FUNCTIONS OF NON-ORTHOGONAL ORBITALS [J].

GALLUP, GA .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1972, 6 (05) :899-&

[5]

GALLUP GG, IN PRESS

[6]

NORBECK JM, IN PRESS

[7] The nature of the chemical bond. V. The quantum-mechanical calculation of the resonance energy of benzene and naphthalene and the hydrocarbon free radicals' [J].

Pauling, L ;

Wheland, GW .

JOURNAL OF CHEMICAL PHYSICS, 1933, 1 (06) :362-374

[8]

PULLMAN A, 1947, ANN CHIM PARIS, V2, P5

[9] The normal state of the hydrogen molecule [J].

Weinbaum, S .

JOURNAL OF CHEMICAL PHYSICS, 1933, 1 (08) :593-596

[10]

WHITTEN JL, 1965, J CHEM PHYS, V44, P359

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