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Quantum Mechanics Rate Constant for the N+ND Reaction
Nonadiabatic quantum dynamical calculation N+ND→N2+D reaction Rate constant
2012/4/5
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 re...