The TD quantum wavepacket method has been applied to study the dynamics of ion molecule reaction of N+ + H2 on the WSS (Wilhelmsson, Siegbahn and Schinke) potential energy surface. Total reaction probabilities for the N+ + H2 reaction are calculated as a function of translational energy for a number of rotational states of H2. The reaction probability from the ground states show numerous narrow resonances that are typically on the order of several picoseconds as well as a threshold energy due to endothermicity of the reaction.
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Zhang et al. (1999) studied this question.
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