The O + NO(v) Vibrational Relaxation Processes Revisited

2018 
We have carried out a quasiclassical trajectory study of the O + NO(v) energy transfer process using DMBE potential energy surfaces for the ground-states of the 2A′ and 2A″ manifolds. State-to-state vibrational relaxation rate constants have been computed over the temperature range 298 and 3000 K and initial vibrational states between v = 1 and 9. The momentum-Gaussian binning approach has been employed to calculate the probability of the vibrational transitions. A comparison of the calculated state-to-state rate coefficients with the results from experimental studies and previous theoretical calculations shows the relevance of the 1 2A″ potential energy surface to the title vibrational relaxation process.
    • Correction
    • Source
    • Cite
    • Save
    • Machine Reading By IdeaReader
    47
    References
    10
    Citations
    NaN
    KQI
    []