THE ELECTRONIC-STRUCTURE OF THE BENZENE MOLECULE

被引：223

作者：

COOPER, DL

GERRATT, J

RAIMONDI, M

机构：

[1] UNIV BRISTOL,DEPT THEORET CHEM,BRISTOL BS8 1TS,AVON,ENGLAND

[2] UNIV MILAN,DIPARTIMENTO CHIM FIS & ELETTROCHIM,I-20133 MILANO,ITALY

来源：

NATURE | 1986年 / 323卷 / 6090期

关键词：

D O I：

10.1038/323699a0

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：

引用

页码：699 / 701

页数：3

共 12 条

[1]

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[2]

COOPER DL, ADV CHEM PHYS

[3]

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[4]

DUNNING TH, 1977, METHODS ELECTRONIC S, pCH1

[5] THE SPIN-COUPLED VALENCE BOND THEORY OF MOLECULAR ELECTRONIC-STRUCTURE .1. BASIC THEORY AND APPLICATION TO THE 2-SIGMA + STATES OF BEH [J].

GERRATT, J ;

RAIMONDI, M .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES, 1980, 371 (1747) :525-552

[6]

GERRATT J, 1971, ATOMIC MOLECULAR PHY, V7, P141

[7] IS THE DELOCALIZED PI-SYSTEM OF BENZENE A STABLE ELECTRONIC SYSTEM [J].

HIBERTY, PC ;

SHAIK, SS ;

LEFOUR, JM ;

OHANESSIAN, G .

JOURNAL OF ORGANIC CHEMISTRY, 1985, 50 (23) :4657-4659

[8] VALENCE-BOND CALCULATION OF ELECTRONIC-STRUCTURE OF BENZENE [J].

NORBECK, JM ;

GALLUP, GA .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1974, 96 (11) :3386-3393

[9]

PAUNCZ R, 1967, ALTERNANT MOL ORBITA

[10]

Pauncz R., 1979, SPIN EIGENFUNCTIONS

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