Differential and integral cross sections for the H + O2 --> OH + O combustion reaction |
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Authors: | Honvault Pascal Lin Shi Ying Xie Daiqian Guo Hua |
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Affiliation: | Institut UTINAM, UMR CNRS 6213, University of Franche-Comté, Campus de la Bouloie, UFR Sciences et Techniques, 25030 Besan?on cedex, France. |
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Abstract: | We present accurate differential and integral cross sections for the H + O2 --> OH + O reaction obtained on a newly developed ab initio potential energy surface using time-independent and time-dependent quantum mechanical methods. The product angular distributions near the reaction threshold show pronounced forward and backward peaks, reflecting the complex-forming mechanism. However, the asymmetry of these peaks suggests certain nonstatistical behaviors, presumably due to some relatively short-lived resonances. The integral cross section increases monotonically with the collision energy above a reaction threshold. |
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