Three-dimensional wave packet dynamics of H2Â +Â D2 reaction

► Three-dimensional wave packet dynamics of H2(v1 = high) + D2(v2 = low) reaction. ► Competitive processes were studied on the BMKP and ASP potential energy surfaces. ► Orientation of the cold diatom did not greatly affect the reaction processes. ► Orientation of the hot diatom had a significant effect on the reaction processes. ► Reaction probabilities for H2 + D2 reaction were compared with H2 + H2 reaction.