Electronic structure of the nickel tetracyanonickelate Ni(CN) 4 2? and nickel carbonyl Ni(CO)4. An ab-initio LCAO-MO-SCF calculation

J. Demuynck; A. Veillard

doi:10.1007/bf00533488

Electronic structure of the nickel tetracyanonickelate Ni(CN) 4 2? and nickel carbonyl Ni(CO)4. An ab-initio LCAO-MO-SCF calculation

Theoretica Chimica Acta ◽

10.1007/bf00533488 ◽

1973 ◽

Vol 28 (3) ◽

pp. 241-265 ◽

Cited By ~ 96

Author(s):

J. Demuynck ◽

A. Veillard

Keyword(s):

Electronic Structure ◽

Ab Initio ◽

Nickel Carbonyl ◽

Lcao Mo

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An ab initio SCF-LCAO-MO study of the electronic structure of borazane, BH3NH3

Journal of Molecular Structure ◽

10.1016/0022-2860(69)87009-2 ◽

1969 ◽

Vol 3 (3) ◽

pp. 244-246 ◽

Cited By ~ 3

Keyword(s):

Electronic Structure ◽

Ab Initio ◽

Lcao Mo

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Nitrogen inversion barriers and electronic structure of fluoramine and cyanamide: ab initio SCF–LCAO–MO study

Journal of the Chemical Society D Chemical Communications ◽

10.1039/c29700001062 ◽

1970 ◽

Vol 0 (17) ◽

pp. 1062-1063 ◽

Cited By ~ 20

Author(s):

J. M. Lehn ◽

B. Munsch

Keyword(s):

Electronic Structure ◽

Ab Initio ◽

Nitrogen Inversion ◽

Lcao Mo

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Electronic structure and inversion barrier of phosphine. An ab initio SCF–LCAO–MO study

Journal of the Chemical Society D Chemical Communications ◽

10.1039/c29690001327 ◽

1969 ◽

Vol 0 (22) ◽

pp. 1327-1329 ◽

Cited By ~ 26

Author(s):

J. M. Lehn ◽

B. Munsch

Keyword(s):

Electronic Structure ◽

Ab Initio ◽

Inversion Barrier ◽

And Inversion ◽

Lcao Mo

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Comparison of the electronic structure of borazine and boroxine: an ab initio SCF-LCAO-MO study

Journal of Molecular Structure ◽

10.1016/0022-2860(75)80076-7 ◽

1975 ◽

Vol 26 (1) ◽

pp. 129-132 ◽

Cited By ~ 13

Author(s):

A. Serafini ◽

J.F. Labarre

Keyword(s):

Electronic Structure ◽

Ab Initio ◽

Lcao Mo

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Some ab initio LCAO-MO-SCF studies of the electronic structure of cyclopropaneag]

Tetrahedron ◽

10.1016/s0040-4020(01)98151-7 ◽

1971 ◽

Vol 27 (19) ◽

pp. 4377-4386 ◽

Cited By ~ 11

Author(s):

H. Marsmann ◽

J.-B. Robert ◽

J.R. Van Wazer

Keyword(s):

Electronic Structure ◽

Ab Initio ◽

Lcao Mo

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Rotational Barrier and Electronic Structure of Monomethylphosphine from Ab Initio LCAO–MO–SCF Calculations

The Journal of Chemical Physics ◽

10.1063/1.1677360 ◽

1972 ◽

Vol 56 (3) ◽

pp. 1284-1289 ◽

Cited By ~ 16

Author(s):

Ilyas Absar ◽

John R. Van Wazer

Keyword(s):

Electronic Structure ◽

Ab Initio ◽

Rotational Barrier ◽

Scf Calculations ◽

Lcao Mo

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An ab-initio LCAO MO SCF study of the electronic structure and molecular properties of SF2

Chemical Physics Letters ◽

10.1016/0009-2614(76)80708-7 ◽

1976 ◽

Vol 44 (3) ◽

pp. 475-478 ◽

Cited By ~ 8

Author(s):

Colin Thomson

Keyword(s):

Electronic Structure ◽

Ab Initio ◽

Molecular Properties ◽

Lcao Mo

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The electronic structure of cyclopropane, cyclopropene and diazirine an ab initio SCF-LCAO-MO study

Theoretica Chimica Acta ◽

10.1007/bf00527111 ◽

1969 ◽

Vol 14 (4) ◽

pp. 281-304 ◽

Cited By ~ 41

Author(s):

E. Kochanski ◽

J. M. Lehn

Keyword(s):

Electronic Structure ◽

Ab Initio ◽

Lcao Mo

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An AB initio SCF LCAO MO study of the electronic structure of ammonia

Chemical Physics Letters ◽

10.1016/0009-2614(65)80002-1 ◽

1968 ◽

Vol 2 (7) ◽

pp. 433-434 ◽

Cited By ~ 4

Author(s):

B. Tinland

Keyword(s):

Electronic Structure ◽

Ab Initio ◽

Lcao Mo

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ChemInform Abstract: AB INITIO LCAO MO SCF CI CALCULATIONS ON THE ELECTRONIC STRUCTURE OF THE CYCLOPROPENYL CATION

Chemischer Informationsdienst ◽

10.1002/chin.197918097 ◽

1979 ◽

Vol 10 (18) ◽

Author(s):

T. TAKADA ◽

K. OHNO

Keyword(s):

Electronic Structure ◽

Ab Initio ◽

Ci Calculations ◽

Lcao Mo

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