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Titre de la publication Année Groupe de recherche
Plaquet, A., Champagne, B., Castet, F., Ducasse, L., Bogdan, E., Rodriguez, V., Pozzo, J.L. (). Theoretical investigation of the dynamic first hyperpolarizability of DHA-VHF molecular switches. In New Journal of Chemistry (Vol. 33, Issue 6, p. 1349-1356). https://doi.org/10.1039/b900432g THEO
Jorfi, M., Honvault, P., Bargueo, P., González-Lezana, T., Larŕgaray, P., Bonnet, L., Halvick, P. (). On the statistical behavior of the O+OH→H+ O2 reaction: A comparison between quasiclassical trajectory, quantum scattering, and statistical calculations. In Journal of Chemical Physics (Vol. 130, Issue 18, p. 184301). https://doi.org/10.1063/1.3128537 THEO
Bonnet, L. (). Gaussian weighted trajectory method. IV. No rainbow effect in practice. In Chinese Journal of Chemical Physics (Vol. 22, Issue 2, p. 210-214). https://doi.org/10.1088/1674-0068/22/02/210-214 THEO
Guillon, G., Stoecklin, T. (). Analytical calculation of the Smith lifetime Q matrix using a Magnus propagator: Applications to the study of resonances occurring in ultracold inelastic collisions with and without an applied magnetic field. In Journal of Chemical Physics (Vol. 130, Issue 14, p. 144306). https://doi.org/10.1063/1.3111881 THEO
Jorfi, M., Honvault, P., Halvick, P. (). Quasiclassical trajectory calculations of differential cross sections and product energy distributions for the N+OH→NO+H reaction. In Journal of Chemical Physics (Vol. 131, Issue 9, p. 094302). https://doi.org/10.1063/1.3218843 THEO
Reinisch, G., Leyssale, J.M., Bertrand, N., Chollon, G., Langlais, F., Vignoles, G. (). Experimental and theoretical investigation of BCl3 decomposition in H2. In Surface and Coatings Technology (Vol. 203, Issue 5-7, p. 643-647). https://doi.org/10.1016/j.surfcoat.2008.04.086 THEO
Bonnet, L., Crespos, C. (). Phase-index problem in the semiclassical description of molecular collisions. In Physical Review A Atomic Molecular and Optical Physics (Vol. 78, Issue 6, p. 062713). https://doi.org/10.1103/PhysRevA.78.062713 THEO
Abufager, P.N., Lustemberg, P.G., Crespos, C., Busnengo, H.F. (). DFT study of dissociative adsorption of hydrogen sulfide on Cu(111) and Au(111). In Langmuir (Vol. 24, Issue 24, p. 14022-14026). https://doi.org/10.1021/la802874j THEO
Picaud, S., Collignon, B., Hoang, P.N.M., Rayez, J.C. (). Adsorption of water molecules on partially oxidized graphite surfaces: A molecular dynamics study of the competition between OH and COOH sites. In Physical Chemistry Chemical Physics (Vol. 10, Issue 46, p. 6998-7009). https://doi.org/10.1039/b811126j THEO
Plaquet, A., Guillaume, M., Champagne, B., Castet, F., Ducasse, L., Pozzo, J.L., Rodriguez, V. (). In silico optimization of merocyanine-spiropyran compounds as second-order nonlinear optical molecular switches. In Physical Chemistry Chemical Physics (Vol. 10, Issue 41, p. 6223-6232). https://doi.org/10.1039/b806561f THEO