Química Física
Département
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Los Alamos National Laboratory
Los Álamos, Estados UnidosPublications en collaboration avec des chercheurs de Los Alamos National Laboratory (3)
2023
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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
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Vibrational Funnels for Energy Transfer in Organic Chromophores
Journal of Physical Chemistry Letters, Vol. 14, Núm. 20, pp. 4673-4681
2020
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Photoinduced Dynamics with Constrained Vibrational Motion: FrozeNM Algorithm
Journal of Chemical Theory and Computation, Vol. 16, Núm. 12, pp. 7289-7298