Publications scientifiques

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Titre de la publication Année Groupe de recherche
Bonnet, L., Espinosa-García, J. (). The method of Gaussian weighted trajectories. V. on the 1GB procedure for polyatomic processes. In Journal of Chemical Physics (Vol. 133, Issue 16, p. 164108). https://doi.org/10.1063/1.3481781 THEO
Reinisch, G., Leyssale, J.M., Vignoles, G.L. (). Hindered rotor models with variable kinetic functions for accurate thermodynamic and kinetic predictions. In Journal of Chemical Physics (Vol. 133, Issue 15, p. 154112). https://doi.org/10.1063/1.3504614 THEO
Bogdan, E., Rougier, L., Ducasse, L., Champagne, B., Castet, F. (). Nonlinear optical properties of flavylium salts: A quantum chemical study. In Journal of Physical Chemistry A (Vol. 114, Issue 32, p. 8474-8479). https://doi.org/10.1021/jp1056804 THEO
Bogdan, E., Plaquet, A., Antonov, L., Rodriguez, V., Ducasse, L., Champagne, B., Castet, F. (). Solvent effects on the second-order nonlinear optical responses in the keto-enol equilibrium of a 2-hydroxy-1-naphthaldehyde derivative. In Journal of Physical Chemistry C (Vol. 114, Issue 29, p. 12760-12768). https://doi.org/10.1021/jp103556c THEO
Jorfi, M., Bussery-Honvault, B., Honvault, P., Stoecklin, T., Larrégaray, P., Halvick, P. (). Theoretical sensitivity of the C(3P) + OH(X2Π) → CO(X1∑+) + H(2S) rate constant: The role of the long-range potential. In Journal of Physical Chemistry A (Vol. 114, Issue 28, p. 7494-7499). https://doi.org/10.1021/jp1037377 THEO
Méreau, R., DAntuono, P., Castet, F., Rouquet, G., Robert, F., Landais, Y. (). Fragmentation of β-silyl radicals. A computational study. In Organometallics (Vol. 29, Issue 11, p. 2406-2412). https://doi.org/10.1021/om900940n THEO