LOCALIZED ORBITALS AND SHORT-RANGE MOLECULAR-INTERACTIONS .1. THEO

被引：45

作者：

MAGNASCO, V ^{[1
]}

MUSSO, GF ^{[1
]}

机构：

[1] UNIV GENOA, IST CHIM IND, 16132 GENOA, ITALY

来源：

JOURNAL OF CHEMICAL PHYSICS | 1974年 / 60卷 / 10期

关键词：

D O I：

10.1063/1.1680813

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：3744 / 3748

页数：5

共 35 条

[1] SEPARATION AND EVALUATION OF FIRST-ORDER-PERTURBATION INTERMOLECULAR ENERGY-TERMS IN LCAO MO SCF CALCULATIONS - APPLICATION TO HE2 SYSTEM [J].

BELTRANL.V ;

FLORES, MJ ;

NOVARO, O .

CHEMICAL PHYSICS LETTERS, 1971, 11 (04) :417-+

[2] INTERACTION OF 2 ELECTRONIC SYSTEMS AT SHORT AND MEDIUM RANGE [J].

DACRE, PD ;

MCWEENY, R .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1970, 317 (1530) :435-&

[3] LOCALIZED BOND ORBITALS AND CORRELATION PROBLEM .I. PERTURBATION CALCULATION OF GROUND STATE ENERGY [J].

DINER, S ;

MALRIEU, JP ;

CLAVERIE, P .

THEORETICA CHIMICA ACTA, 1969, 13 (01) :1-&

[4] LOCALIZED BOND ORBITALS AND CORRELATION PROBLEM .3. ENERGY UP TO THIRD-ORDER IN ZERO-DIFFERENTIAL OVERLAP APPROXIMATION . APPLICATION TO SIGMA-ELECTRON SYSTEMS [J].

DINER, S ;

MALRIEU, JP ;

JORDAN, F ;

GILBERT, M .

THEORETICA CHIMICA ACTA, 1969, 15 (02) :100-&

[5] LOCALIZED ATOMIC AND MOLECULAR ORBITALS [J].

EDMISTON, C ;

RUEDENBERG, K .

REVIEWS OF MODERN PHYSICS, 1963, 35 (03) :457-&

[6] AB INITIO BOND-ORBITAL CALCULATIONS .2. AN IMPROVED PROCEDURE FOR SATURATED HYDROCARBONS [J].

HOYLAND, JR .

JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (01) :473-&

[7] AB INITIO BOND-ORBITAL CALCULATIONS .I. APPLICATION TO METHANE ETHANE PROPANE AND PROPYLENE [J].

HOYLAND, JR .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1968, 90 (09) :2227-&

[8] LOCALIZED BOND ORBITALS AND CORRELATION PROBLEM .4. STABILITY OF PERTURBATION ENERGIES WITH RESPECT TO BOND HYBRIDIZATION AND POLARITY [J].

JORDAN, F ;

GILBERT, M ;

MALRIEU, JP ;

PINCELLI, U .

THEORETICA CHIMICA ACTA, 1969, 15 (03) :211-&

[9]

LEHN JM, 1971, CONFORMATIONAL ANALY

[10] PERTURBATION THEORY FOR INTERMOLECULAR FORCES INCLUDING EXCHANGE [J].

LEKKERKERKER, HN ;

LAIDLAW, WG .

JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (06) :2953-+

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