LOCALIZATION AND DELOCALIZATION .2. ROLE OF OVERLAP IN INTERBOND INTERACTIONS

被引：41

作者：

MAYER, I

SURJAN, PR

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1984年 / 80卷 / 11期

关键词：

D O I：

10.1063/1.446631

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：5649 / 5658

页数：10

共 50 条

[1] SCF-PERTURBATIONAL ANALYSIS OF THE TRANS LONE PAIR EFFECT IN METHYLAMINE AND METHANOL [J].

BACHLER, V ;

OLBRICH, G .

THEORETICA CHIMICA ACTA, 1980, 57 (04) :329-336

[2] APPROXIMATE SOLUTION OF HARTREE-FOCK-EQUATIONS OF INTERACTING MOLECULES IN REGION OF SMALL OVERLAP .1. INTERACTION ENERGY [J].

BACHLER, V ;

MARK, F ;

POLANSKY, OE .

THEORETICA CHIMICA ACTA, 1975, 37 (04) :285-303

[3] AN EXTENDED PCILO METHOD [J].

BOCA, R .

THEORETICA CHIMICA ACTA, 1982, 61 (02) :179-192

[4] QUANTUM-MECHANICAL STUDIES ON THE ORIGIN OF BARRIERS TO INTERNAL-ROTATION ABOUT SINGLE BONDS [J].

BRUNCK, TK ;

WEINHOLD, F .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (07) :1700-1709

[5] ANTISYMMETRIZATION EFFECTS IN BOND-ORBITAL MODELS OF INTERNAL-ROTATION BARRIERS [J].

CORCORAN, CT ;

WEINHOLD, F .

JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (04) :2866-2868

[6] LOCALIZED BOND MODEL FOR MOLECULAR-ENERGY TO 4TH ORDER IN PERTURBATION-THEORY [J].

CULLEN, JM ;

ZERNER, MC .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1982, 22 (03) :497-535

[7] LOCALIZED AB-INITIO ANALYSIS OF AN ELECTROCYCLIC REACTION [J].

DAUDEY, JP ;

LANGLET, J ;

MALRIEU, JP .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1974, 96 (11) :3393-3397

[8] DIRECT DETERMINATION OF LOCALIZED SCF ORBITALS [J].

DAUDEY, JP .

CHEMICAL PHYSICS LETTERS, 1974, 24 (04) :574-578

[9] PERTURBATIVE CONFIGURATION-INTERACTION USING LOCALIZED ORBITALS IN THE INDO HYPOTHESIS .1. THEORY AND APPLICATIONS TO ENERGETICAL PROBLEMS [J].

DOUADY, J ;

BARONE, V ;

ELLINGER, Y ;

SUBRA, R .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1980, 17 (02) :211-233

[10] LOCALIZED CHARGE DISTRIBUTIONS .3. TRANSFERABILITY AND TRENDS OF CARBON-HYDROGEN MOMENTS AND ENERGIES IN ACYCLIC HYDROCARBONS [J].

GORDON, MS ;

ENGLAND, W .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (15) :5168-&

← 1 2 3 4 5 →