LOCALIZED ORBITALS AND SHORT-RANGE MOLECULAR-INTERACTIONS .3. ROTATION BARRIERS IN C2H6 AND H2O2

被引：27

作者：

MUSSO, GF ^{[1
]}

MAGNASCO, V ^{[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：

10.1063/1.1680815

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：3754 / 3759

页数：6

共 33 条

[1] Energy component analysis of rotational barriers [J].

Allen, L. C. .

CHEMICAL PHYSICS LETTERS, 1968, 2 (08) :597-601

[2] HARTREE-FOCK CALCULATION OF BARRIER TO INTERNAL ROTATION IN HYDROGEN PEROXIDE [J].

DUNNING, TH ;

WINTER, NW .

CHEMICAL PHYSICS LETTERS, 1971, 11 (02) :194-&

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

EDMISTON, C ;

RUEDENBERG, K .

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

[4] ON ENERGY LOCALIZATION OF APPROXIMATE MOLECULAR ORBITALS [J].

ENGLAND, W ;

GORDON, MS .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1969, 91 (24) :6864-&

[5] LOCALIZED CHARGE DISTRIBUTIONS .1. GENERAL THEORY, ENERGY PARTITIONING, AND INTERNAL ROTATION BARRIER IN ETHANE [J].

ENGLAND, W ;

GORDON, MS .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1971, 93 (19) :4649-&

[6] LOCALIZED CHARGE DISTRIBUTIONS .2. INTERPRETATION OF BARRIERS TO INTERNAL-ROTATION IN H2O2 [J].

ENGLAND, W ;

GORDON, MS .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (14) :4818-+

[7] COMMENTS ON BARRIER TO INTERNAL ROTATION IN ETHANE [J].

EPSTEIN, IR ;

LIPSCOMB, WN .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (20) :6094-&

[8] LOCALIZED CHARGE DISTRIBUTIONS - INTERNAL-ROTATION BARRIER IN BORAZANE [J].

GORDON, MS ;

ENGLAND, W .

CHEMICAL PHYSICS LETTERS, 1972, 15 (01) :59-&

[9] BARRIERS TO INTERNAL-ROTATION AND OBSERVABLES OF GROUND STATE FOR HYDROGEN PEROXIDE [J].

GUIDOTTI, C ;

MAESTRO, M ;

LAMANNA, U ;

MOCCIA, R .

THEORETICA CHIMICA ACTA, 1972, 27 (01) :55-&

[10] THEORETICAL STUDY OF ELECTRONIC STRUCTURE AND BARRIERS TO ROTATION IN H2O2 AND H2S2 [J].

HILLIER, IH ;

SAUNDERS, VR ;

WYATT, JF .

TRANSACTIONS OF THE FARADAY SOCIETY, 1970, 66 (575) :2665-&

← 1 2 3 4 →