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searching for Surface hopping 4 found (14 total)

MOLCAS (785 words) [view diff] case mismatch in snippet view article find links to article

terms and are based on calculations for individual molecules. Tully Surface Hopping Molecular Dynamics Method for localization and characterization of

NAS Award in Chemical Sciences (1,259 words) [view diff] exact match in snippet view article find links to article

through insightful analyses and creation of computational tools such as surface hopping, which is the standard starting point for simulating molecular motion

Hans Lischka (1,157 words) [view diff] no match in snippet view article find links to article

Eckert-Maksić, Mirjana; Lischka, Hans (August 2007). "The on-the-fly surface-hopping program system Newton-X: Application to ab initio simulation of the

Nuclear ensemble approach (1,566 words) [view diff] exact match in snippet view article find links to article

differential absorbance spectra for ultrafast pump-probe experiments with surface hopping trajectories". The Journal of Chemical Physics. 141 (15): 154108. Bibcode:2014JChPh