Publications scientifiques

Accès aux publications

Titre de la publication Année Groupe de recherche
González-Martínez, M.L., Bonnet, L., Larrégaray, P., Rayez, J.C. (). Classical treatment of molecular collisions: Striking improvement of the description of recoil energy distributions using Gaussian weighted trajectories. In Journal of Chemical Physics (Vol. 126, Issue 4, p. 041102). https://doi.org/10.1063/1.2435716 THEO
Aurel, P., Fritsch, A., Ducasse, L., Linares, M., Cornil, J., Beljonne, D., Castet, F. (). A Valence Bond model to evaluate electronic parameters for charge transport in organic aggregates. In Aip Conference Proceedings (Vol. 963, Issue 2, p. 295-298). https://doi.org/10.1063/1.2836066 THEO
Zanchet, A., Halvick, P., Rayez, J.C., Bussery-Honvault, B., Honvault, P. (). Cross sections and rate constants for the C (P3) +OH (X Π2) →cO (X +1) +H (S2) reaction using a quasiclassical trajectory method. In Journal of Chemical Physics (Vol. 126, Issue 18, p. 184308). https://doi.org/10.1063/1.2731788 THEO
Bonnet, L., Larrégaray, P., Duguay, B., Rayez, J.C., Che, D.C., Kasai, T. (). Stereoselectivity as a probe of unexpected reaction pathways. In Bulletin of the Chemical Society of Japan (Vol. 80, Issue 4, p. 707-710). https://doi.org/10.1246/bcsj.80.707 THEO
Larŕgaray, P., Bonnet, L., Rayez, J.C. (). Mean potential phase space theory of chemical reactions. In Journal of Chemical Physics (Vol. 127, Issue 8, p. 084308). https://doi.org/10.1063/1.2768959 THEO
Castet, F., Champagne, B., Nakano, M., Takahashi, H. (). Multi-scale simulations for materials and life sciences. In Aip Conference Proceedings (Vol. 963, Issue 2, p. 285-286). https://doi.org/10.1063/1.2836062 THEO
Faure, A., Varambhia, H.N., Stoecklin, T., Tennyson, J. (). Electron-impact rotational and hyperfine excitation of HCN, HNC, DCN and DNC. In Monthly Notices of the Royal Astronomical Society (Vol. 382, Issue 2, p. 840-848). https://doi.org/10.1111/j.1365-2966.2007.12416.x THEO
Bonnet, L., Larrégaray, P., Rayez, J.C. (). On the theory of complex-forming chemical reactions: Effect of parity conservation on the polarization of differential cross sections. In Physical Chemistry Chemical Physics (Vol. 9, Issue 25, p. 3228-3240). https://doi.org/10.1039/b700906b THEO
Bargueño, P., González-Lezana, T., Larrégaray, P., Bonnet, L., Rayez, J.C. (). Time dependent wave packet and statistical calculations on the H + O 2 reaction. In Physical Chemistry Chemical Physics (Vol. 9, Issue 9, p. 1127-1137). https://doi.org/10.1039/b613375d THEO