State-to-state dynamics of H + O2 reaction, evidence for nonstatistical behavior

Zhigang Sun, Dong H. Zhang, Chuanxiu Xu, Shulan Zhou, Daiqian Xie, György Lendvay, Soo Y. Lee, Shi Ying Lin, Hua Guo

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42 Citations (Scopus)

Abstract

Converged differential and integral cross sections are reported for the H + O2 → OH + O reaction on an improved potential energy surface of HO2(X2A") using a dynamically exact quantum wave packet method and Gaussian weighted quasi-classical trajectory method. The complex-forming mechanism is confirmed by strong forward and backward scattering peaks and by highly inverted OH rotational state distributions. Both the quantum and classical results provide strong evidence for nonstatistical behavior in this important reaction.

Original languageEnglish
Pages (from-to)14962-14963
Number of pages2
JournalJournal of the American Chemical Society
Volume130
Issue number45
DOIs
Publication statusPublished - Nov 12 2008

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ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)
  • Biochemistry
  • Colloid and Surface Chemistry

Cite this

Sun, Z., Zhang, D. H., Xu, C., Zhou, S., Xie, D., Lendvay, G., Lee, S. Y., Lin, S. Y., & Guo, H. (2008). State-to-state dynamics of H + O2 reaction, evidence for nonstatistical behavior. Journal of the American Chemical Society, 130(45), 14962-14963. https://doi.org/10.1021/ja8068616