Viaud, L.T., Somers, M., Crespos, C., Bonnet, L., Larregaray, P. (). Classical dynamics in a quantum spirit: a revision of adiabatic trajectory treatment for H2/Pd(111). In Physical Chemistry Chemical Physics (Vol. 28, Issue 32, p. 19754-19760). https://doi.org/10.1039/d6cp01708h
THEO
Bombín, R., Galparsoro, O., Peláez, D., Tremblay, J.C., Crespos, C., Larregaray, P. (). Quantum dynamical and isotopic effects for hydrogen isotope scattering at W(110) surface. In Journal of Chemical Physics (Vol. 165, Issue 6, p. 064702). https://doi.org/10.1063/5.0340344
THEO
Leyssale, J.M., Potier, K., Méreau, R., Aurel, P., Cawkwell, M.J., Obliger, A. (). Practical 3D-Connected Atomistic Kerogen Models over a Large Maturity Range. In Energy and Fuels (Vol. 40, Issue 28, p. 15188-15201). https://doi.org/10.1021/acs.energyfuels.6c02047
THEO
Leyssale, J.M., Piazza, F., Puech, P. (). Atomistic simulation of the bending stiffness of sp2 and sp3 hybridized carbon sheets. In Journal of Applied Physics (Vol. 140, Issue 2, p. 024302). https://doi.org/10.1063/5.0333587
THEO
Turcas, I., Castet, F., Merritt, I.C.D. (). Beyond Wigner sampling: Effect of initial conditions and substitution on simulated ESIPT in salicylidene aniline. In Journal of Chemical Physics (Vol. 165, Issue 2, p. 024309). https://doi.org/10.1063/5.0325780
