Quasi-classical trajectory and quantum mechanics study of the reaction H(2S) + NH → N(4S) + H2

►We have applied the quasi-classical trajectory and quantum mechanical methods to calculate reaction probabilities for the title reaction at zero total angular momentum. ►It is found that the specific vibrational-rotational rate constant shows an Arrhenius-type behavior over the investigated temperature range of 200-2500 K, in unprecedented good agreement with the available experimental data.