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  • Title: Building transition probabilities for any condition using reduced cumulative energy transfer functions in H2O-H2O collisions.
    Author: Bustos-Marún RA, Coronado EA, Ferrero JC.
    Journal: J Chem Phys; 2007 Mar 28; 126(12):124305. PubMed ID: 17411121.
    Abstract:
    The energy transfer process between highly vibrationally excited H(2)O in thermal equilibrium with a gas bath of H(2)O at different internal energies and temperatures has been studied by classical trajectory calculations. The results were analyzed using a cumulative probability distribution Q(DeltaE) of the amount of energy transferred, obtained by direct count of the number of trajectories that transfer an amount of energy equal to or greater than a certain value DeltaE. Scaling Q(DeltaE) in terms of the mean down and up energies transferred for each group of trajectories results in a unique distribution. This fact and the use of detailed balance constrains were used to propose a methodology that make it possible to build the whole P(E('),E) for any condition by knowing DeltaE and a series of parameters that depend only on the system under study.
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