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Adsorption of deuterium on the neutral and anionic Alnλ (n=1–9, 13; λ=0, −1) clusters has been investigated systematically using density functional theory. The comparisons between the Franck–Condon factor simulated spectra and the measured photoelectron spectroscopy (PES) of Cui and co-workers help to search for the ground-state structures. The results showed that D2 molecule tends to be dissociated...
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