AN ABINITIO LCAO-MO STUDY OF THE SUBSTITUENT EFFECT IN BENZENOID SYSTEMS - META-SUBSTITUTED AND PARA-SUBSTITUTED BENZOIC-ACIDS

被引：38

作者：

BOHM, S

KUTHAN, J

机构：

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1984年 / 26卷 / 01期

关键词：

D O I：

10.1002/qua.560260103

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：21 / 33

页数：13

共 38 条

[1] PREDICTIVE VALUE OF PROTON AFFINITY - IONIZATION-ENERGY CORRELATIONS INVOLVING OXYGENATED MOLECULES [J].

BENOIT, FM ;

HARRISON, AG .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (12) :3980-3984

[2]

BINKLEY JS, 368 U IND QUANT CHEM

[3] OPTIMIZATION OF MOLECULAR-GEOMETRY OF PARA-SUBSTITUTED BENZOIC-ACIDS AND THEIR ANIONS BY MEANS OF GRADIENT CNDO/2 METHOD [J].

BOHM, S ;

KUTHAN, J .

COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS, 1982, 47 (12) :3393-3404

[4] OPTIMIZATION OF MOLECULAR-GEOMETRY OF META-SUBSTITUTED BENZOIC-ACIDS AND THEIR ANIONS BY GRADIENT CNDO 2 METHOD [J].

BOHM, S ;

KUTHAN, J .

COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS, 1983, 48 (04) :1019-1029

[5]

BOTREL A, 1973, CR ACAD SCI C CHIM, V276, P1663

[6] EXTENDED HUCKEL THEORY STUDY OF SOME PHYSICAL AND CHEMICAL MOLECULAR-PROPERTIES .2. SUBSTITUTED BENZOIC-ACIDS - ACID STRENGTHS AND IMPORTANCE OF SOLVATION ENERGY [J].

BOTREL, A ;

GUERILLO.CR .

JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE, 1974, 71 (06) :974-978

[7] CORRELATION BETWEEN PROTON AFFINITY AND CORE-ELECTRON IONIZATION-POTENTIALS FOR DOUBLE-BONDED OXYGEN - SITE OF PROTONATION IN ESTERS [J].

CARROLL, TX ;

SMITH, SR ;

THOMAS, TD .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (03) :659-660

[8] SITE OF PROTONATION IN AROMATIC AND ACYCLIC AMINES AND ACYCLIC AMIDES REVEALED BY N1S CORE LEVEL ELECTRON-SPECTROSCOPY [J].

CAVELL, RG ;

ALLISON, DA .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (12) :4203-4204

[9] QUANTUM-CHEMICAL STUDY OF DISSOCIATION OF META AND PARA-SUBSTITUTED BENZOIC-ACIDS AT ALL-VALENCE-ELECTRONS LEVEL [J].

DANIHEL, I ;

KUTHAN, J .

COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS, 1980, 45 (08) :2201-2214

[10] CONTRIBUTION TO STUDY OF PI-ELECTRONIC EFFECTS IN MONOSUBSTITUTED BENZENES [J].

DANIHEL, I ;

KUTHAN, J .

COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS, 1979, 44 (03) :873-883

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