ELECTROSTATIC MOLECULAR POTENTIAL FOR IMIDAZOLE, PYRAZOLE, OXAZOLE AND ISOXAZOLE

被引：38

作者：

BERTHIER, G

BONACCOR.R

TOMASI, J

SCROCCO, E

机构：

来源：

THEORETICA CHIMICA ACTA | 1972年 / 26卷 / 01期

关键词：

D O I：

10.1007/BF00527659

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：101 / &

共 18 条

[1] THEORETICAL INVESTIGATIONS ON SOLVATION PROCESS .2. MONOHYDRATED ASSOCIATES OF SOME 3-MEMBERED RING MOLECULES [J].

ALAGONA, G ;

SCROCCO, E ;

TOMASI, J ;

CIMIRAGL.R .

THEORETICA CHIMICA ACTA, 1972, 25 (01) :103-&

[2]

ALBERT A, 1968, HETEROCYCLIC CHEMIST

[3]

[Anonymous], 1966, ADV HETEROCYCL CHEM

[4]

BERTHIER G, 1970, QUANTUM ASPECTS HETE, V2, P40

[5] 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-&

[6] THEORETICAL INVESTIGATIONS ON SOLVATION PROCESS .1. A SIMPLE MODEL FOR DIMERIC WATER ASSOCIATE [J].

BONACCOR.R ;

PETRONGO.C ;

SCROCCO, E ;

TOMASI, J .

THEORETICA CHIMICA ACTA, 1971, 20 (04) :331-&

[7] 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-+

[8] 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-+

[9] 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-+

[10]

BONACCORSI R, THEORET SECTION PROG, P35

← 1 2 →