Abstract:The effect of initial vibrational energy and the mode of disposal of available energy into products for the disproportionation reaction between BrO radicals are studied using the quasiclassical trajectory (QCT) technique. The calculations are performed on an analytical potential enegy surface based on ab initio results reported for the three isomeric forms of (BrO)2 system. The results indicate a mild dependence on reactant vibrational energy, which is discussed in terms of the mechanistic aspects of the react… Show more
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