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• W2990295493 abstract "When elementary reactive processes occur at such low energies that only a few states of reactants and/or products are available, quantum effects strongly manifest and the standard description of the dynamics within the classical framework fails. We show here, for H2 scattering on Pd(111), that by pseudoquantizing in the spirit of Bohr the relevant final actions of the system, along with adequately treating the diffraction-mediated trapping of the incoming wave, classical simulations achieve an unprecedented agreement with state-of-the-art quantum dynamics calculations." @default.
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• W2990295493 date "2019-11-27" @default.
• W2990295493 modified "2023-10-14" @default.
• W2990295493 title "When Classical Trajectories Get to Quantum Accuracy: The Scattering of H₂ on Pd(111)" @default.
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• W2990295493 doi "https://doi.org/10.1021/acs.jpclett.9b02742" @default.
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