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We investigate the rotationally inelastic diffraction (RID) of D2(H2) scattered from Cu(001) and discuss how isotope effects influence the RID probabilities of D2(H2) by performing quantum dynamics calculations that include all six degrees of freedom of D2(H2). We show that the RID probabilities initially increase with increasing incident energies due to the activated nature of D2(H2) dissociation...
We investigate the effects of the correlation between the molecular diffraction and rotational excitation on the dynamics of H 2 scattering from Cu(001) by performing quantum dynamics calculations including all six degrees-of-freedom of H 2 . We calculate the m j -resolved rotationally inelastic (j=0→2) diffraction (RID) probabilities of H 2 (in the vibrational ground...
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