Classical Molecule–Surface Scattering in a Quantum Spirit: Application to H2/Pd(111) Nonactivated Sticking
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DOI: 10.1021/acs.jpcc.7b04829
Abstract: The semiclassical initial value representation is used to derive a simple expression for the sticking probability in nonactivated dissociative chemisorptions of diatomic molecules. This expression, whose calculation requires only the running of classical trajectories, takes… read more here.
Keywords: quantum spirit; molecule surface; surface scattering; spirit application ... See more keywords