Castet, F., Méreau, R., Liotard, D. (). Photochemistry of naphthopyrans and derivatives: A computational experiment for upper-level undergraduates or graduate students. In Journal of Chemical Education (Vol. 91, Issue 6, p. 924-928). https://doi.org/10.1021/ed5000845
THEO
Pétuya, R., Crespos, C., Quintas-Sanchez, E., Larrégaray, P. (). Comparative theoretical study of H2 eley-rideal recombination dynamics on W(100) and W(110). In Journal of Physical Chemistry C (Vol. 118, Issue 22, p. 11704-11710). https://doi.org/10.1021/jp501679n
THEO
Gannouni, M.A., Jaidane, N.E., Halvick, P., Stoecklin, T., Hochlaf, M. (). Accurate global potential energy surface for the H + OH+ collision. In Journal of Chemical Physics (Vol. 140, Issue 18, p. 184306). https://doi.org/10.1063/1.4872329
THEO
Leyssale, J.M., Vignoles, G.L. (). A large-scale molecular dynamics study of the divacancy defect in graphene. In Journal of Physical Chemistry C (Vol. 118, Issue 15, p. 8200-8216). https://doi.org/10.1021/jp501028n
THEO
Nicolas, Y., Allama, F., Lepeltier, M., Massin, J., Castet, F., Ducasse, L., Hirsch, L., Boubegtiten, Z., Jonusauskas, G., Olivier, C., Toupance, T. (). New synthetic routes towards soluble and dissymmetric triphenodioxazine dyes designed for dye-sensitized solar cells. In Chemistry A European Journal (Vol. 20, Issue 13, p. 3678-3688). https://doi.org/10.1002/chem.201303775
THEO
Denis-Alpizar, O., Stoecklin, T., Halvick, P. (). Rovibrational energy transfer in the He-C3 collision: Potential energy surface and bound states. In Journal of Chemical Physics (Vol. 140, Issue 8, p. 084316). https://doi.org/10.1063/1.4866839
