Quantum Mechanics Rate Constant for the N+ND Reaction

We present nonadiabatic quantum dynamical calculations on the two coupled potential en-ergy surfaces (1²A′ and 2²A′) J. Theor. Comput. Chem. 8, 849 (2009) for the reaction. Initial state-resolved reaction probabilities and cross sections for the N+ND→N₂+D reaction and N′+ND→N′D+N reaction for collision energies of 5 meV to 1.0 eV are determined, re-spectively. It is found that the N+ND→N₂+D reaction is dominated in the N+ND reaction.In addition, we obtained the rate constants for the N+ND→N₂+D reaction which demand further experimental investigations.