Total reaction probabilities as a function of collision energy calculated using the time-dependent wave packet method for selected J values and initial rotational states of the HCl (v = 0, j) reagent for the title reaction.
Final state-resolved reaction probabilities for the F + HCl (v = 0, j = 0) → Cl + HF (v ′, j ′) reactive collisions at J = 0. Top panel shows probabilities summed over product rotational states for given final vibrational state v ′.
Total initial rotational state-selected reaction probabilities for the F + HCl (v = 0, j) → Cl + HF reactive collisions at J = 0.
Integral cross sections as a function of collision energy and initial rotational state of HCl for the F + HCl (v = 0, j) reaction calculated by the wave packet method. The labels on the right y axis are to help to distinguish lines in case of the b/w printer.
Initial state-resolved (top panel) and thermal (bottom panel) rate constants.
Parameters used in the wave packet calculations (all parameters are given in Å unless otherwise specified).
Parameters used in the time-independent ABC calculations for total angular momentum quantum numbers J = 0 and J = 80 (all parameters are given in Å unless otherwise specified).
Article metrics loading...
Full text loading...