期刊
JOURNAL OF PHYSICAL CHEMISTRY A
卷 111, 期 25, 页码 5349-5352出版社
AMER CHEMICAL SOC
DOI: 10.1021/jp072904d
关键词
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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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