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Keywords:

  • reaction dynamics;
  • wave packet study;
  • N + H2;
  • reactive scattering

Abstract

N(2D) + H2 [RIGHTWARDS ARROW] NH + H reaction at zero total angular momentum is studied by using a time dependent quantum wave packet method. State-to-state and state-to-all reactive scattering probabilities for a broad range of energy are calculated. The probabilities show many sharp peaks that ascribed to reactive scattering resonances. The probabilities for J > 0 are estimated by using the J-shifting method. The integral cross sections and thermal rate constants are then calculated. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2006