ON THE APPLICABILITY OF CNDO INDEXES FOR THE PREDICTION OF CHEMICAL-REACTIVITY

被引：45

作者：

BROWN, RE ^{[1
]}

SIMAS, AM ^{[1
]}

机构：

[1] QUEENS UNIV,DEPT CHEM,KINGSTON K7L 3N6,ONTARIO,CANADA

来源：

THEORETICA CHIMICA ACTA | 1982年 / 62卷 / 01期

关键词：

D O I：

10.1007/BF00551049

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

页码：1 / 16

页数：16

共 17 条

[1]

[Anonymous], 1954, B CHEM SOC JPN

[2] CONCERNING OMICRONRO SCALE OF SUBSTITUENT PI DELOCALIZATION PARAMETERS . THEORY AND EXPERIMENT [J].

BROWNLEE, RT ;

TAFT, RW .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1968, 90 (23) :6537-&

[3] THE ELECTRONIC STRUCTURE OF CONJUGATED SYSTEMS .2. UNSATURATED HYDROCARBONS AND THEIR HETERO-DERIVATIVES [J].

COULSON, CA ;

LONGUETHIGGINS, HC .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1947, 192 (1028) :16-32

[4] MOLECULAR ORBITAL THEORY OF ORIENTATION IN AROMATIC, HETEROAROMATIC, AND OTHER CONJUGATED MOLECULES [J].

FUKUI, K ;

YONEZAWA, T ;

NAGATA, C ;

SHINGU, H .

JOURNAL OF CHEMICAL PHYSICS, 1954, 22 (08) :1433-1442

[5] A MOLECULAR ORBITAL THEORY OF REACTIVITY IN AROMATIC HYDROCARBONS [J].

FUKUI, K ;

YONEZAWA, T ;

SHINGU, H .

JOURNAL OF CHEMICAL PHYSICS, 1952, 20 (04) :722-725

[6]

GREENWOOD HH, 1966, ADV PHYSICAL ORGANIC, V4, pCH3

[7]

HELVIE WJ, 1972, J AM CHEM SOC, V94, P1496

[8]

JOHNSON CD, 1973, HAMMETT EQUATION

[9] MOLECULAR ORBITAL ASPECTS OF SUBSTITUENT EFFECTS [J].

KANG, S ;

BEVERIDG.DL .

THEORETICA CHIMICA ACTA, 1971, 22 (03) :312-&

[10]

KANG S, 1973, INT J QUANTUM CHEM S, V7, P319

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