4.6 Letter

Differential and integral cross sections for the H+O2→OH+O combustion reaction

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JOURNAL OF PHYSICAL CHEMISTRY A
卷 111, 期 25, 页码 5349-5352

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AMER CHEMICAL SOC
DOI: 10.1021/jp072904d

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We present accurate differential and integral cross sections for the H + O-2 -> 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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