Reaction of O(1D) + H2 → HO + H. A three-dimensional quantum dynamics study
作者： Tong Peng , Dong H Zhang , John ZH Zhang , Reinhard Schinke , None
DOI: 10.1016/0009-2614(95)01285-0
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摘要: Abstract A time-dependent quantum dynamics calculation is reported for the O( 1 D) + H 2 reaction in three dimensions. Total (final state summed) probabilities, cross sections and rate constants title are presented this study using potential energy surface of Schinke Lester (SL1). Despite presence deep well corresponding to stable species OH , no long-lived resonances found calculations. The present also shows that insertion mechanism plays a major role reaction. calculated generally good agreement with an earlier classical trajectory Lester.
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