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On the Franckndash;Condon behavior of the H+Cl2reaction

机译:On the Franckndash;Condon behavior of the H+Cl2reaction

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Extended quantum collinear calculations of the H+Cl2reaction have been compared with model results in order to single out distinctive properties of reactive probabilities for a reaction thought to be governed by a Franckndash;Condon mechanism. Such an analysis has shown that even a simple model is able to rationalize the Franckndash;Condon contributions to the product vibrational distribution when the energy dependence of the exact quantum results is taken into account properly. On top of that, it has been shown that the product vibrational distribution of a Franckndash;Condon driven reaction need not havev+1 peaks (vbeing the initial vibrational state of reactants).

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