Journal
JOURNAL OF PHYSICAL CHEMISTRY A
Volume 113, Issue 40, Pages 10648-10651Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp907865a
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Total and state-to-state probabilities have been determined for the N + NO -> N-2 + O reaction for collision energies up to 0.6 eV using a time-independent quantum mechanical method. The probabilities as a function of collision energy show broad oscillations, in strong contrast with previous theoretical results obtained by means of a time-dependent wave packet method that show a dense resonance structure. The rate constant has been calculated in the J-shifting approach for temperatures between 10 and 400 K. It is in good agreement with previous theoretical results obtained only at 100 K and above 200 K and experiments in a wide temperature range.
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