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Quasiclassical Trajectory Calculation of the Reaction O (^3P)+HI→OH (X)+I

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概要 Three-dimensional quasiclassical trajectory calculations have been performed for the O(^3P)+HI/DI→OH(X)/OD(X)+I reactions by using generalized LEPS potential energy surfaces. The calculated vibrationa...l state distribution of OH is in good agreement with the experimental one. The vibrational excitation of OH has been ascribed to the H+LH′mass effect on the highly repulsive potential energy surface, while the effect of the secondary encounters on the product vibrational energy disposal is small.続きを見る

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登録日 2009.04.22
更新日 2020.02.10