Analyse conformationnelle th�orique III. Etude ab initio SCF-LCAO-MO de l'inversion de l'azote dans l'Aziridine et dans l'Oxaziridine

J. M. Lehn; B. Munsch; Ph. Millie; A. Veillard

doi:10.1007/bf00529023

Analyse conformationnelle th�orique III. Etude ab initio SCF-LCAO-MO de l'inversion de l'azote dans l'Aziridine et dans l'Oxaziridine

Theoretica Chimica Acta ◽

10.1007/bf00529023 ◽

1969 ◽

Vol 13 (4) ◽

pp. 313-339 ◽

Cited By ~ 54

Author(s):

J. M. Lehn ◽

B. Munsch ◽

Ph. Millie ◽

A. Veillard

Keyword(s):

Ab Initio ◽

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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Gas phase structure of beryllocene, an ab initio LCAO MO SCF study

Chemical Physics Letters ◽

10.1016/0009-2614(78)85288-9 ◽

1978 ◽

Vol 54 (3) ◽

pp. 567-570 ◽

Cited By ~ 18

Author(s):

J. Demuynck ◽

M.M. Rohmer

Keyword(s):

Ab Initio ◽

Gas Phase ◽

Phase Structure ◽

Gas Phase Structure ◽

Lcao Mo

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Ab initio LCAO-MO calculations on α-D-glucopyranose, β-D-fructopyranose, and their thiopyranoid-ring analogues. Application to a theory of sweetness

Journal of the Chemical Society Chemical Communications ◽

10.1039/c39870000937 ◽

1987 ◽

pp. 937-939 ◽

Cited By ~ 10

Author(s):

Robert J. Woods ◽

Vedene H. Smith ◽

Walter A. Szarek ◽

Abbas Farazdel

Keyword(s):

Ab Initio ◽

Mo Calculations ◽

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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Nitrogen inversion barrier and nature of the Si–N bond in silylamine: an ab initio SCF–LCAO–MO study

Journal of the Chemical Society D Chemical Communications ◽

10.1039/c29700000994 ◽

1970 ◽

Vol 0 (16) ◽

pp. 994-996 ◽

Cited By ~ 18

Author(s):

J. M. Lehn ◽

B. Munsch

Keyword(s):

Ab Initio ◽

Inversion Barrier ◽

Nitrogen Inversion ◽

Lcao Mo

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Ab Initio LCAO–MO–SCF Calculations on Formic Acid, Formate Ion, and Protonated Formic Acid

The Journal of Chemical Physics ◽

10.1063/1.1673218 ◽

1970 ◽

Vol 52 (4) ◽

pp. 1784-1789 ◽

Cited By ~ 39

Author(s):

A. C. Hopkinson ◽

K. Yates ◽

I. G. Csizmadia

Keyword(s):

Formic Acid ◽

Ab Initio ◽

Scf Calculations ◽

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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