Abstract
Quantum dynamics calculations are reported for N+NH→N2+H reaction on the lowest doublet state potential energy surface of HN2[26]. The calculations have been performed for J=0 using the time-dependent real wavepacket approach [29]. Reaction probabilities for total energies between 0.1 and 0.7eV are presented, as well as vibrational and rotational state distributions for products at three total energies. Integral cross sections obtained by the J-shifting method, and the rate constant as a function of temperature are also given.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have