B. Duguay

发表

Stereoselectivity as a Probe of Unexpected Reaction Pathways

P. Larrégaray, L. Bonnet, J. Rayez, 2007 .

On thermal diffusion in binary and ternary Lennard-Jones mixtures by non-equilibrium molecular dynamics

J. Caltagirone, F. Montel, B. Duguay, 2003 .

Theoretical study of the reaction C(3P) + N2O(X1Σ+). II. Dynamical trajectory studies on a three-atom model

J. Rayez, M. Rayez, B. Duguay, 1984 .

Molecular aspect of the even–odd effect in cyanobiphenyls (nCB): Theoretical studies of the molecular geometrical conformation and optical anisotropy. I. n≤6

J. Lalanne, A. Proutière, J. Rayez, 1984 .

Conformational analysis of [n]paracyclophanes and [n] Dewar benzenes by simulated annealing and local methods

D. Liotard, J. Rayez, F. Bockisch, 1993 .

Theoretical studies of [n]paracyclophanes and their valence isomers

D. Liotard, J. Rayez, F. Bockisch, 1993 .

Theoretical studies of [n]paracyclophanes and their valence isomers. I. Geometries, strain energies, and enthalpies of the inter‐conversions of [n]paracyclophanes and their Dewar benzee isomers

D. Liotard, J. Rayez, J. Rayez, 1992 .

A photochemical way from [7]paracyclophane to [7]Dewar benzene?

D. Liotard, J. Rayez, F. Bockisch, 1992 .

Molecular aspect of the even-odd effect in cyanobiphenyls (n-CB): Theoretical studies of the molecular geometrical conformation and optical anisotropy. II. n ⪢ 6

J. Lalanne, A. Proutière, J. Rayez, 1986 .

Theoretical study of the reaction C(3P)+N2O(X 1Σ+). I. Potential energy surfaces

J. Rayez, M. Rayez, B. Duguay, 1983 .

Three-atom indirect exchange reactions. II. Dynamical behaviours explained by a simple model

J. Rayez, P. Halvick, M. Rayez, 1987 .

Three-atom indirect exchange reactions. I. 1d QCT study of the topological factors influencing the energetic distribution on the products

J. Rayez, P. Halvick, M. Rayez, 1986 .

Thermal diffusion sensitivity to the molecular parameters of a binary equimolar mixture, a non-equilibrium molecular dynamics approach

J. Caltagirone, F. Montel, B. Duguay, 2003 .

Theoretical study of the reaction C(3P)+SH(X 2Π). IV. A quasi-classical trajectory study of the reaction at 300 K

J. Rayez, B. Duguay, T. Stoecklin, 1990 .

Theoretical study of the reaction C(3P)+SH(X2Π). III. Two analytic models of the lowest potential energy surface

J. Rayez, T. Stoecklin, B. Duguay, 1990 .

A molecular dynamics study of thermal diffusion in a porous medium

J. Caltagirone, F. Montel, P. Bopp, 2002 .

Mass Effect on Thermodiffusion using Molecular Dynamics

F. Montel, B. Duguay, G. Galliéro, 2007 .

Simulated annealing to locate various stationary points in semiempirical methods

D. Liotard, J. Rayez, F. Bockisch, 1992 .

Thermal diffusion in micropores by molecular dynamics computer simulations

J. Caltagirone, F. Montel, P. Bopp, 2006 .

Four-atom exoergic indirect reactions A+BCD → AB+CD. 1D-QCT study of some topological factors influencing the energetic distribution of the products

J. Rayez, P. Halvick, M. Rayez, 1989 .

Molecular dynamics study of thermal diffusion in a binary mixture of alkanes trapped in a slit pore

J. Caltagirone, F. Montel, P. Bopp, 2003 .