MULTIPOLE EXPANSIONS OF ELECTROSTATIC MOLECULAR POTENTIAL

被引：23

作者：

BONACCORSI, R ^{[1
]}

CIMIRAGLIA, R ^{[1
]}

SCROCCO, E ^{[1
]}

TOMASI, J ^{[1
]}

机构：

[1] CNR, LAB CHIM QUANTISTICA & ENERGETICA MOLEC, VIA RISORGIMENTO 35, I-56100 PISA, ITALY

来源：

THEORETICA CHIMICA ACTA | 1974年 / 33卷 / 02期

关键词：

D O I：

10.1007/BF00526615

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：97 / 103

页数：7

共 19 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] THEORETICAL INVESTIGATIONS ON SOLVATION PROCESS .3. STO-DOUBLE-ZETA SCF CALCULATIONS ON HYDRATED PROTON H5O+/2 [J].

ALAGONA, G ;

CIMIRAGLIA, R ;

LAMANNA, U .

THEORETICA CHIMICA ACTA, 1973, 29 (01) :93-96

[4]

[Anonymous], THEORETICAL SECTION

[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]

BONACCORSI R, 1969, INT S QUANTUM ASPECT

[8] VAN DER WAALS VOLUMES + RADII [J].

BONDI, A .

JOURNAL OF PHYSICAL CHEMISTRY, 1964, 68 (03) :441-+

[9] THEORY OF MOLECULAR-INTERACTIONS .3. COMPARISON OF STUDIES OF H2O POLYMERS USING DIFFERENT MOLECULAR-ORBITAL BASIS SETS [J].

DELBENE, JE ;

POPLE, JA .

JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (09) :3605-3608

[10] CANONICAL CONFIGURATIONAL INTERACTION PROCEDURE [J].

FOSTER, JM ;

BOYS, SF .

REVIEWS OF MODERN PHYSICS, 1960, 32 (02) :300-302

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