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Titre de la publication Année Groupe de recherche
Ahmad, N., Adnan, R., Soetens, J.C., Millot, C. (). Molecular dynamics simulations of liquid isoquinoline as a function of temperature. In Chemical Physics (Vol. 407, p. 29-38). https://doi.org/10.1016/j.chemphys.2012.08.016 THEO
Leyssale, J.M., Da Costa, J.P., Germain, C., Weisbecker, P., Vignoles, G.L. (). Structural features of pyrocarbon atomistic models constructed from transmission electron microscopy images. In Carbon (Vol. 50, Issue 12, p. 4388-4400). https://doi.org/10.1016/j.carbon.2012.05.015 THEO
Mothy, S., Guillaume, M., Idé, J., Castet, F., Ducasse, L., Cornil, J., Beljonne, D. (). Tuning the interfacial electronic structure at organic heterojunctions by chemical design. In Journal of Physical Chemistry Letters (Vol. 3, Issue 17, p. 2374-2378). https://doi.org/10.1021/jz300894r THEO
Pefoute, E., Kemner, E., Soetens, J.C., Russina, M., Desmedt, A. (). Diffusive motions of molecular hydrogen confined in THF clathrate hydrate. In Journal of Physical Chemistry C (Vol. 116, Issue 32, p. 16823-16829). https://doi.org/10.1021/jp3008656 THEO
Chefdeville, S., Stoecklin, T., Bergeat, A., Hickson, K.M., Naulin, C., Costes, M. (). Appearance of low energy resonances in CO-Para-H 2 inelastic collisions. In Physical Review Letters (Vol. 109, Issue 2, p. 023201). https://doi.org/10.1103/PhysRevLett.109.023201 THEO
Lique, F., Halvick, P., Stoecklin, T., Hochlaf, M. (). Prediction of the existence of the N 2H - molecular anion. In Journal of Chemical Physics (Vol. 136, Issue 24, p. 244302). https://doi.org/10.1063/1.4730036 THEO
Morón, V., Martin-Gondre, L., Crespos, C., Larregaray, P., Gamallo, P., Sayós, R. (). Classical dynamics study of atomic oxygen over graphite (0001) with new interpolated and analytical potential energy surfaces. In Computational and Theoretical Chemistry (Vol. 990, p. 132-143). https://doi.org/10.1016/j.comptc.2012.01.030 THEO
Bonnet, L., Larrégaray, P., Arbelo-González, W., de Castro-Vítores, M. (). Normalization of the Gaussian binning trajectory method for indirect reactions. In Computational and Theoretical Chemistry (Vol. 990, p. 30-38). https://doi.org/10.1016/j.comptc.2011.11.001 THEO
Larregaray, P., Bonnet, L. (). Rationalizing the S( 1D)+H 2→SH(X 2Π)+H reaction dynamics through a semi-classical capture model. In Computational and Theoretical Chemistry (Vol. 990, p. 18-22). https://doi.org/10.1016/j.comptc.2012.02.012 THEO