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Titre de la publication Année Groupe de recherche
Vyalov, I., Kiselev, M., Tassaing, T., Soetens, J.C., Federov, M., Damay, P., Idrissi, A. (). Reorientation relaxation in supercritical ammonia. In Journal of Molecular Liquids (Vol. 159, Issue 1, p. 31-37). https://doi.org/10.1016/j.molliq.2010.09.012 THEO
Beljonne, D., Cornil, J., Muccioli, L., Zannoni, C., Brédas, J.L., Castet, F. (). Electronic processes at organic-organic interfaces: Insight from modeling and implications for opto-electronic devices. In Chemistry of Materials (Vol. 23, Issue 3, p. 591-609). https://doi.org/10.1021/cm1023426 THEO
Oubal, M., Hantal, G., Picaud, S., Hoang, P.N.M., Liotard, D., Rayez, M.T., Rayez, J.C., Villenave, E. (). A new semi-empirical model for the oxidation of polycyclic aromatic hydrocarbon (PAHs) molecules physisorbed on soot. II. application to the reaction PAH + OH for a series of large PAH molecules. In Computational and Theoretical Chemistry (Vol. 965, Issue 2-3, p. 259-267). https://doi.org/10.1016/j.comptc.2010.10.048 THEO
Stoecklin, T., Halvick, P. (). Collisional relaxation of MnH (X7Σ+) in a magnetic field: Effect of the nuclear spin of Mn. In Physical Chemistry Chemical Physics (Vol. 13, Issue 42, p. 19142-19147). https://doi.org/10.1039/c1cp21466g THEO
Rayez, M.T., Rayez, J.C., Villenave, E. (). Theoretical approach of the mechanism of the reactions of chlorine atoms with aliphatic aldehydes. In Computational and Theoretical Chemistry (Vol. 965, Issue 2-3, p. 321-327). https://doi.org/10.1016/j.comptc.2010.11.025 THEO
Loison, J.C., Daranlot, J., Bergeat, A., Caralp, F., Mereau, R., Hickson, K.M. (). Gas-phase kinetics of hydroxyl radical reactions with C3H 6 and C4H8: Product branching ratios and OH addition site-specificity. In Journal of Physical Chemistry A (Vol. 114, Issue 51, p. 13326-13336). https://doi.org/10.1021/jp107217w THEO
Oubal, M., Picaud, S., Rayez, M.T., Rayez, J.C. (). Water adsorption on oxidized single atomic vacancies present at the surface of small carbonaceous nanoparticles modeling soot. In Chemphyschem (Vol. 11, Issue 18, p. 4088-4096). https://doi.org/10.1002/cphc.201000364 THEO
Martinelli, N.G., Idé, J., Sánchez-Carrera, R.S., Coropceanu, V., Brédas, J.L., Ducasse, L., Castet, F., Cornil, J., Beljonne, D. (). Influence of structural dynamics on polarization energies in anthracene single crystals. In Journal of Physical Chemistry C (Vol. 114, Issue 48, p. 20678-20685). https://doi.org/10.1021/jp105843t THEO