Publications in collaboration with researchers from Los Alamos National Laboratory (5)

2023

  1. NEXMD v2.0 Software Package for Nonadiabatic Excited State Molecular Dynamics Simulations

    Journal of Chemical Theory and Computation, Vol. 19, Núm. 16, pp. 5356-5368

  2. Vibrational Funnels for Energy Transfer in Organic Chromophores

    Journal of Physical Chemistry Letters, Vol. 14, Núm. 20, pp. 4673-4681

2020

  1. Neutral Atom Imaging of the Solar Wind-Magnetosphere-Exosphere Interaction Near the Subsolar Magnetopause

    Geophysical Research Letters, Vol. 47, Núm. 19

  2. Photoinduced Dynamics with Constrained Vibrational Motion: FrozeNM Algorithm

    Journal of Chemical Theory and Computation, Vol. 16, Núm. 12, pp. 7289-7298

1998

  1. Fluxionality and Isomerism of the Bis(dihydrogen) Complex RuH2(H2)2(PCy3)2: INS, NMR, and Theoretical Studies

    Inorganic Chemistry, Vol. 37, Núm. 14, pp. 3475-3485