Publications scientifiques

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Titre de la publication Année Groupe de recherche
Ducasse, L., Castet, F., Fritsch, A., Huc, I., Buffeteau, T. (). Density functional theory calculations and vibrational circular dichroism of aromatic foldamers. In Journal of Physical Chemistry A (Vol. 111, Issue 23, p. 5092-5098). https://doi.org/10.1021/jp071645p THEO
Guillon, G., Stoecklin, T., Voronin, A. (). Spin-rotation interaction in cold and ultracold collisions of N2+ (Σ+2) with He3 and He4. In Physical Review A Atomic Molecular and Optical Physics (Vol. 75, Issue 5, p. 052722). https://doi.org/10.1103/PhysRevA.75.052722 THEO
Méreau, R., Desmedt, A., Harris, K.D.M. (). Mechanistic aspects of the solid-state transformation of ammonium cyanate to urea at high pressure. In Journal of Physical Chemistry B (Vol. 111, Issue 15, p. 3960-3968). https://doi.org/10.1021/jp070291z 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
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
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