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- W1964068472 abstract "A hybrid quantum/classical method is applied to the vibrational predissociation of van der Waals clusters containing a diatomic molecule and several rare gas atoms, Cl2⋯Nen (n=2, 3). The vibrational degree of freedom of the diatomic is treated quantum mechanically while all the other degrees of freedom are treated classically. A kinetic mechanism is proposed in order to interpret the dynamics in terms of the following elementary steps; vibrational predissociation (VP), intramolecular vibrational redistribution (IVR), and evaporative cooling (EC). The resulting lifetimes are in very good agreement with the experimental linewidth measurements of Janda and co-workers, and with the quantum mechanical reduced-dimension results of Le Quéré and Gray on Cl2⋯Ne2. The final rotational state distributions agree very well with the experimental results and exhibit a quasistatistical behavior. The final vibrational distributions reproduce the main experimental features." @default.
- W1964068472 created "2016-06-24" @default.
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- W1964068472 date "1999-09-08" @default.
- W1964068472 modified "2023-10-16" @default.
- W1964068472 title "Hybrid quantum/classical simulation and kinetic study of the vibrational predissociation of Cl2⋯Nen (n=2, 3)" @default.
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- W1964068472 doi "https://doi.org/10.1063/1.479219" @default.
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