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Bernard Bigot

Columbia University

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Publication

Featured researches published by Bernard Bigot.

Journal of the Chemical Society, Faraday Transactions | 1980

Influence of unsaturated chromophore excitation on the feasibility and selectivity of adjacent σ bond cleavage

Bernard Bigot; Alain Devaquet; Alain Sevin

The feasibility and selectivity of the cleavage of a σ bond adjacent to an unsaturated CX chromophore are analysed by qualitative theoretical and quantitative ab initio methods. The reasons why the nπ* states are best suited to the cleavage are clearly shown. In the case of asymmetrical systems selectivity is ordered by the relative weight of mixing between the n lone pair and the bonding σ molecular orbitals corresponding to the competing bonds.

Journal of the American Chemical Society | 1994

Theoretical and experimental investigations of the nonlinear optical properties of vanillin, polyenovanillin, and bisvanillin derivatives

Chantal Andraud; Thierry Brotin; Chantal Garcia; Fabrienne Pelle; Philippe Goldner; Bernard Bigot; André Collet

Journal of the American Chemical Society | 1981

Structures and properties of organic liquids: n-butane and 1,2-dichloroethane and their conformation equilibriums

William L. Jorgensen; Robert C. Binning; Bernard Bigot

Journal of the American Chemical Society | 1978

Avoided crossings in excited states potential energy surfaces

Alain Devaquet; A. Sevin; Bernard Bigot

Journal of the American Chemical Society | 1982

Quantum and statistical mechanical studies of liquids. 21. The nature of dilute solutions of sodium and methoxide ions in methanol

William L. Jorgensen; Bernard Bigot; Jayaraman Chandrasekhar

Journal of the American Chemical Society | 1979

Ab initio SCF calculations on the photochemical behavior of the three-membered rings. 3. Oxirane: ring opening

Bernard Bigot; A. Sevin; Alain Devaquet

Journal of the American Chemical Society | 1981

Natural correlation diagrams. A unifying theoretical basis for analysis of n orbital initiated ketone photoreactions

Bernard Bigot; Alain Devaquet; Nicholas J. Turro

Journal of the American Chemical Society | 1978

Theoretical ab initio SCF investigation of the photochemical behavior of the three-membered rings. 5. Oxaziridine

Bernard Bigot; R. Ponec; A. Sevin; Alain Devaquet

Langmuir | 1995

Adsorption Modes of Acetonitrile on Ni(111), Ni(100), and Ni(110). A Semiempirical Theoretical Study

Bernard Bigot; Françoise Delbecq; Vincent-Henri Peuch

Journal of the American Chemical Society | 1986

A theoretical study of successive hydrogenations of small platinum clusters: structure and energetics

Christian Minot; Bernard Bigot; Atika. Hariti

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Collaboration

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Alain Devaquet

Columbia University

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William L. Jorgensen

Yale University

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Vincent-Henri Peuch

École normale supérieure de Lyon

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Christian Minot

Centre national de la recherche scientifique

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Jayaraman Chandrasekhar

Indian Institute of Science

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Nicholas J. Turro

Columbia University

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André Collet

École normale supérieure de Lyon

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Chantal Andraud

École normale supérieure de Lyon

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Chantal Garcia

École normale supérieure de Lyon

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Françoise Delbecq

École normale supérieure de Lyon

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