DERIVATION OF AND COMMENTS ON BONACCORSI-SCROCCO-TOMASI POTENTIALS FOR ELECTROPHILIC ADDITIONS

被引：106

作者：

ANDERSON, AB ^{[1
]}

机构：

[1] CORNELL UNIV,DEPT CHEM,ITHACA,NY 14850

来源：

JOURNAL OF CHEMICAL PHYSICS | 1974年 / 60卷 / 06期

关键词：

D O I：

10.1063/1.1681386

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：2477 / 2479

页数：3

共 22 条

[1]

ALMLOF A, TO BE PUBLISHED

[2] VALENCE FORCE-FIELD POTENTIALS FOR DIAMONDLIKE CRYSTALS [J].

ANDERSON, AB .

PHYSICAL REVIEW B, 1973, 8 (08) :3824-3827

[3] EVALUATING FORCE CONSTANTS FROM LCAO-MO-SCF ELECTRONIC CHARGE DENSITIES FOR DIATOMIC-MOLECULES [J].

ANDERSON, AB .

JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (01) :381-383

[4] VIBRATIONAL FORCE CONSTANTS FROM ELECTRON DENSITIES [J].

ANDERSON, AB ;

PARR, RG .

JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (08) :3375-&

[5] THEORETICAL APPROACH TO POTENTIAL-ENERGY FUNCTIONS FOR LINEAR AB2 AND ABC AND BENT AB2 TRIATOMIC MOLECULES [J].

ANDERSON, AB .

JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (10) :4143-+

[6] POISSON EQUATION FOR VIBRATIONAL POTENTIALS OF DIATOMIC-MOLECULES [J].

ANDERSON, AB ;

PARR, RG .

THEORETICA CHIMICA ACTA, 1972, 26 (04) :301-&

[7] EFFECTIVE MOLECULAR ELECTRONIC CHARGE DENSITIES AND VIBRATIONAL POTENTIAL-ENERGY FUNCTIONS [J].

ANDERSON, AB .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1972, 44 (03) :411-424

[8] 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-&

[9] 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-&

[10] 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-+

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