REPRESENTATION OF POLARIZATION TERM IN INTERACTION ENERGY BETWEEN A MOLECULE AND A POINT-LIKE CHARGE

被引:34
作者
BONACCORSI, R [1 ]
SCROCCO, E [1 ]
TOMASI, J [1 ]
机构
[1] CNR,CHIM QUANT & ENERGETICA MOLEC LAB,I-56100 PISA,ITALY
来源
THEORETICA CHIMICA ACTA | 1976年 / 43卷 / 01期
关键词
D O I
10.1007/BF00548957
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
收藏
页码:63 / 73
页数:11
相关论文
共 14 条
[1]  
ALAGONA G, 1973, INT J PEPT PROT RES, V5, P251
[2]   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-&
[3]   QUANTITATIVE RELATIVE GAS-PHASE BASICITIES OF ALKYLAMINES - CORRELATION WITH SOLUTION BASICITY [J].
AUE, DH ;
BOWERS, MT ;
WEBB, HM .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (13) :4726-&
[4]   GROUP CONTRIBUTIONS TO ELECTROSTATIC MOLECULAR POTENTIAL [J].
BONACCORSI, R ;
SCROCCO, E ;
TOMASI, J .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (14) :4049-4054
[5]   INTRINSIC BASICITIES OF AMMONIA, METHYLAMINES, ANILINES, AND PYRIDINE FROM GAS-PHASE PROTON-EXCHANGE EQUILIBRIA [J].
BRIGGS, JP ;
YAMDAGNI, R ;
KEBARLE, P .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (14) :5128-&
[6]   STUDY OF ELECTRONIC STRUCTURE OF MOLECULES .10. GROUND STATE FOR ADENINE, CYTOSINE, GUANINE AND THYAMINE [J].
CLEMENTI, E ;
ANDRE, JM ;
ANDRE, MC ;
KLINT, D ;
HAHN, D .
ACTA PHYSICA ACADEMIAE SCIENTIARUM HUNGARICAE, 1969, 27 (1-4) :493-&
[7]   PROTONATION OF 3-MEMBERED RING MOLECULES - AB-INITIO SCF VERSUS ELECTROSTATIC PICTURE OF PROTON APPROACH [J].
GHIO, C ;
TOMASI, J .
THEORETICA CHIMICA ACTA, 1973, 30 (02) :151-158
[8]   METHYL SUBSTITUENT EFFECTS IN PROTONATED ALIPHATIC-AMINES AND THEIR RADICAL CATIONS [J].
HENDERSO.WG ;
HOLTZ, D ;
TAAGEPER.M ;
TAFT, RW ;
BEAUCHAM.JL ;
MCIVER, RT .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (13) :4728-+
[10]  
POPLE JA, 1967, J AM CHEM SOC, V89, P4235