USE OF MOLECULAR ELECTROSTATIC POTENTIALS IN STUDY OF PROTONATION OF TOLUENE

被引：13

作者：

CHALVET, O

DECORET, C

ROYER, J

机构：

[1] CTR MECANIQUE ONDUATOIRE APPL,F-75019 PARIS,FRANCE

[2] LAB SPECT & LUMINESCENCE,F-69621 VILLEURBANNE,FRANCE

[3] LAB SYNTH & CHIM ORG APPL,F-69611 VILLEURBANNE,FRANCE

来源：

TETRAHEDRON | 1976年 / 32卷 / 23期

关键词：

D O I：

10.1016/0040-4020(76)80147-0

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

引用

页码：2927 / 2929

页数：3

共 17 条

[1] ELECTROSTATIC MOLECULAR POTENTIAL FOR IMIDAZOLE, PYRAZOLE, OXAZOLE AND ISOXAZOLE [J].

BERTHIER, G ;

BONACCOR.R ;

TOMASI, J ;

SCROCCO, E .

THEORETICA CHIMICA ACTA, 1972, 26 (01) :101-&

[2] ELECTROSTATIC MOLECULAR POTENTIAL AS A STATIC INDEX IN STUDY OF AROMATIC SUBSTITUTIONS [J].

BERTRAN, J ;

SILLA, E ;

CARBO, R ;

MARTIN, M .

CHEMICAL PHYSICS LETTERS, 1975, 31 (02) :267-270

[3] MOLECULAR SCF CALCULATIONS FOR GROUND STATE OF SOME 3-MEMBERED RING MOLECULES - (CH2)3, (CH2)2NH, (CH2)2NH2+, (CH2)2O, (CH2)2S, (CH)2CH2, AND N2CH2 [J].

BONACCOR.R ;

SCROCCO, E ;

TOMASI, J .

JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (10) :5270-&

[4] N- VERSUS O-PROTON AFFINITIES OF AMIDE GROUP - AB-INITIO ELECTROSTATIC MOLECULAR POTENTIALS [J].

BONACCORSI, R ;

TOMASI, J ;

SCROCCO, E ;

PULLMAN, A .

CHEMICAL PHYSICS LETTERS, 1972, 12 (04) :622-+

[5] MOLECULAR ELECTROSTATIC POTENTIALS FOR NUCLEIC-ACID BASES - ADENINE, THYMINE, AND CYTOSINE [J].

BONACCORSI, R ;

TOMASI, J ;

SCROCCO, E ;

PULLMAN, A .

THEORETICA CHIMICA ACTA, 1972, 24 (01) :51-+

[6] MOLECULAR SCF CALCULATIONS FOR GROUND STATE OF SOME 3-MEMBERED RING MOLECULES - CIS AND TRANS DIAZIRIDINE, OXAZIRIDINE AND CORRESPONDING IMMINIUM IONS [J].

BONACCORSI, R ;

SCROCCO, E ;

TOMASI, J .

THEORETICA CHIMICA ACTA, 1971, 21 (01) :17-+

[7]

BONACCORSI R, 1970, QUANTUM ASPECTS HETE, V2, P181

[8] THEORETICAL TREATMENT OF ELECTROPHILIC REACTIVITY IN NITROXIDES AND KETYL RADICALS THROUGH AB-INITIO MOLECULAR ELECTROSTATIC POTENTIALS [J].

ELLINGER, Y ;

SUBRA, R ;

BERTHIER, G ;

TOMASI, J .

JOURNAL OF PHYSICAL CHEMISTRY, 1975, 79 (22) :2440-2443

[9] MOLECULAR ELECTROSTATIC POTENTIALS OBTAINED WITH CNDO AND INDO WAVE-FUNCTIONS [J].

GIESSNER.C ;

PULLMAN, A .

THEORETICA CHIMICA ACTA, 1974, 33 (01) :91-94

[10] CHEMICAL REACTIVITY AND CONCEPT OF CHARGE- AND FRONTIER-CONTROLLED REACTIONS [J].

KLOPMAN, G .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1968, 90 (02) :223-&

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