VIRTUAL CHARGE MODEL OF A POLARIZABLE MEDIUM AS A BASIS FOR HUCKEL CALCULATIONS WITH THE OMEGA-TECHNIQUE

被引：27

作者：

CONSTANCIEL, R ^{[1
]}

机构：

[1] UNIV PARIS 06, F-75230 PARIS 05, FRANCE

来源：

THEORETICA CHIMICA ACTA | 1980年 / 54卷 / 02期

关键词：

D O I：

10.1007/BF00554119

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：123 / 130

页数：8

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共 22 条

[1] INTERPRETATION STRUCTURALE DES SPECTRES HYPERFINS DES RADICAUX LIBRES ET METHODES DE CHIMIE QUANTIQUE - EXEMPLE DES RADICAUX NITROXYDES
BERTHIER, G
LEMAIRE, H
RASSAT, A
VEILLARD, A
[J]. THEORETICA CHIMICA ACTA, 1965, 3 (03): : 213 - &
[2] CHALVET O, 1977, B SOC CHIM BELG, V86, P31
[3] THEORY OF SOLVENT EFFECTS - VIRTUAL CHARGE MODEL TO REPRESENT SOLVENT POLARIZATION
CONSTANCIEL, R
TAPIA, O
[J]. THEORETICA CHIMICA ACTA, 1978, 48 (01): : 75 - 86
[4] A SIMPLE MO-LCAO METHOD FOR THE CALCULATION OF CHARGE DISTRIBUTIONS IN SATURATED ORGANIC MOLECULES
DELRE, G
[J]. JOURNAL OF THE CHEMICAL SOCIETY, 1958, (NOV): : 4031 - 4040
[5] ELECTRONIC STRUCTURE OF ALPHA-AMINO ACIDS OF PROTEINS .1. CHARGE DISTRIBUTIONS AND PROTON CHEMICAL SHIFTS
DELRE, G
PULLMAN, B
YONEZAWA, T
[J]. BIOCHIMICA ET BIOPHYSICA ACTA, 1963, 75 (02) : 153 - &
[6] FISHERHJALMARS I, 1965, J CHEM PHYS, V42, P1962
[7] SELF-CONSISTENT METHODS IN HUCKEL THEORY
HARRIS, FE
[J]. JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (09) : 4027 - &
[8] JANO I, 1965, CR HEBD ACAD SCI, V261, P103
[9] ON DEVELOPMENT OF SEMIEMPIRICAL METHODS IN MO FORMALISM
JUG, K
[J]. THEORETICA CHIMICA ACTA, 1969, 14 (02): : 91 - &
[10] POLYELECTRONIC PERTURBATION TREATMENT OF CHEMICAL REACTIVITY
KLOPMAN, G
HUDSON, RF
[J]. THEORETICA CHIMICA ACTA, 1967, 8 (02): : 165 - &