GROUP CONTRIBUTIONS TO ELECTROSTATIC MOLECULAR POTENTIAL

被引：59

作者：

BONACCORSI, R ^{[1
]}

SCROCCO, E ^{[1
]}

TOMASI, J ^{[1
]}

机构：

[1] CNR,CHIM QUANT & ENERGETICA MOLEC,I-56100 PISA,ITALY

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1976年 / 98卷 / 14期

关键词：

D O I：

10.1021/ja00430a005

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：4049 / 4054

页数：6

共 20 条

[1] ABINITIO STUDY OF AMIDIC BOND-CLEAVAGE BY OH- IN FORMAMIDE
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[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (24) : 6976 - 6983
[2] ALAGONA G, 1973, INT J PEPT PROTEIN R, V5, P201
[3] ALMLOF J, TO BE PUBLISHED
[4] QUANTITATIVE RELATIVE GAS-PHASE BASICITIES OF ALKYLAMINES - CORRELATION WITH SOLUTION BASICITY
AUE, DH
BOWERS, MT
WEBB, HM
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (13) : 4726 - &
[5] ELECTROSTATIC MOLECULAR POTENTIAL FOR IMIDAZOLE, PYRAZOLE, OXAZOLE AND ISOXAZOLE
BERTHIER, G
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[J]. THEORETICA CHIMICA ACTA, 1972, 26 (01): : 101 - &
[6] SCF MINIMAL BASIS SET CALCULATIONS AND EXCLUSIVE ORBITALS FOR CN- HCN N3- HN3 NCO- AND HNCO
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TOMASI, J
[J]. JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (04) : 1500 - &
[7] 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
BONACCOR.R
SCROCCO, E
TOMASI, J
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (10) : 5270 - &
[8] N- VERSUS O-PROTON AFFINITIES OF AMIDE GROUP - AB-INITIO ELECTROSTATIC MOLECULAR POTENTIALS
BONACCORSI, R
TOMASI, J
SCROCCO, E
PULLMAN, A
[J]. CHEMICAL PHYSICS LETTERS, 1972, 12 (04) : 622 - +
[9] MOLECULAR ELECTROSTATIC POTENTIALS FOR NUCLEIC-ACID BASES - ADENINE, THYMINE, AND CYTOSINE
BONACCORSI, R
TOMASI, J
SCROCCO, E
PULLMAN, A
[J]. THEORETICA CHIMICA ACTA, 1972, 24 (01): : 51 - +
[10] MOLECULAR SCF CALCULATIONS FOR GROUND STATE OF SOME 3-MEMBERED RING MOLECULES - CIS AND TRANS DIAZIRIDINE, OXAZIRIDINE AND CORRESPONDING IMMINIUM IONS
BONACCORSI, R
SCROCCO, E
TOMASI, J
[J]. THEORETICA CHIMICA ACTA, 1971, 21 (01): : 17 - +

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