Quantum Mechanics Rate Constant for the N plus ND Reaction

We present nonadiabatic quantum dynamical calculations on the two coupled potential energy surfaces (1(2)A' and 2(2)A') [J. Theor. Comput. Chem. 8, 849 (2009)] for the reaction. Initial state-resolved reaction probabilities and cross sections for the N+ND -> N(2)+D reaction and N'+ND -> N+N'D reaction for collision energies of 5 meV to 1.0 eV are determined, respectively. It is found that the N+ND -> N(2)+D reaction is dominated in the N+ND reaction. In addition, we obtained the rate constants for the N+ND -> N(2)+D reaction which demand further experimental investigations