POTENTIAL SURFACE FOR LEAST-MOTION DISSOCIATION OF TRANS DIMERIC NITROSOMETHANE - LIMITED NON-CONVENTIONAL CI APPROACH

被引：8

作者：

HEIBERG, AB ^{[1
]}

机构：

[1] UNIV OSLO,DEPT CHEM,OSLO,NORWAY

来源：

CHEMICAL PHYSICS | 1977年 / 26卷 / 02期

关键词：

D O I：

10.1016/0301-0104(77)87056-0

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：309 / 317

页数：9

共 10 条

[1]

ALMLOF J, 1974, USIP7429 U STOCKH RE

[2] SINGLE DETERMINANT WAVE FUNCTIONS [J].

AMOS, AT ;

HALL, GG .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1961, 263 (1312) :483-+

[3] KINETICS OF SOME REACTIONS OF NITROSOALKANES [J].

CHRISTIE, MI ;

FROST, JS ;

VOISEY, MA .

TRANSACTIONS OF THE FARADAY SOCIETY, 1965, 61 (508P) :674-&

[4] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS [J].

DUNNING, TH .

JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) :2823-+

[5]

HEIBERG AB, 1976, ADV MOL RELAXATION P, V9, P199

[6] NON-LEAST-MOTION POTENTIAL SURFACES - DIMERIZATION OF METHYLENES AND NITROSO COMPOUNDS [J].

HOFFMANN, R ;

GLEITER, R ;

MALLORY, FB .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (06) :1460-&

[7]

LUTTKE W, 1957, Z ELEKTROCHEM, V61, P976

[8] CAUSSIAN BASIS SETS FOR FIRST AND SECOND ROW ATOMS [J].

ROOS, B ;

SIEGBAHN, P .

THEORETICA CHIMICA ACTA, 1970, 17 (03) :209-&

[9] C-H...O HYDROGEN-BOND - AB-INITIO STUDY OF NITROSOMETHANE AND ITS HYDROGEN-BONDED DIMER [J].

TALBERG, HJ ;

OTTERSEN, T .

JOURNAL OF MOLECULAR STRUCTURE, 1975, 29 (02) :225-231

[10]

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