Calculation of the rate constant for state-selected recombination of H+O2(nu) as a function of temperature and pressure

Classical trajectory calculations using the MERCURY/VENUS code have been carried out on the H+O(2) reactive system using the DMBE-IV potential energy surface. The vibrational quantum number and the temperature were selected over the ranges nu=0 to 15, and T=300 to 10 000 K, respectively. All other v...

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Veröffentlicht in:	The Journal of chemical physics 2004-06, Vol.120 (22), p.10483-10500
Hauptverfasser:	Teitelbaum, Heshel, Caridade, Pedro J S B, Varandas, António J C
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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