Fig. 5: Direct vibration-to-translation coupling. | Nature Communications

Fig. 5: Direct vibration-to-translation coupling.

From: First-principles full-dimensional modelling of vibrational energy transfer of molecule scattering from metal surfaces

Fig. 5: Direct vibration-to-translation coupling.The alternative text for this image may have been generated using AI.

a Experimental mean final translational energy26 of the scattered NO as a function of final rotational energy for vi = 3 → vf = 3, 2, 1 with Ei = 0.98 eV. b, c Same as (a), but calculated by IESH and BOMD on the PW91 PES. d Distribution of α, for which α is the angle between the nonadiabatic coupling vector and N–O bond when electronic hopping occurs in IESH. Error bars indicate standard errors. Source data are provided in a Source data file.

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