Intramolecular vibrational redistribution and fragmentation dynamics of I[sub 2]...Ne[sub n]...

Authors :: Alberti, S. Fernandez
Halberstadt, N.
Beswick, J.A.
Bastida, A.
Zuniga, J.
Requena, A.
Source :: Journal of Chemical Physics. 7/1/1999, Vol. 111 Issue 1, p239. 6p. 2 Charts, 15 Graphs.
Publication Year :: 1999
Abstract: Studies the intramolecular vibrational energy redistribution and fragmentation dynamics in I[sub2](B,v=22)...Nen(n=2-6) and I[sub2](B,v=21)...Nen(n=2-5) clusters using hybrid quantum/classical techniques. Use of vibrational version of molecular dynamics with quantum transitions; Representation of potential energy surface as sum of pairwise interactions.

Subjects :: *VIBRATIONAL spectra
*FRAGMENTATION reactions
*QUANTUM theory
*MICROCLUSTERS

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