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| - A Simplified Reduced-Dimensionality Study to Treat Reactions of the Type X + CZ3Y →XY + CZ3
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| Abstract
| - We present calculations on reactions of the type X + CZ3Y → XY + CZ3 using a reduced-dimensionalitymodel with two degrees of freedom. Only the Y−C vibrational mode ν1 of CZ3Y and the stretching vibrationof X−Y are treated explicitly in the scattering problem. An approximation accounting for the umbrella ν2mode of CZ3 has been introduced. A direct comparison with previous calculations of state-selected reactioncross sections is made on the reactions O(3P) + CH4 → OH + CH3 and O(3P) + CH3D → OD + CH3. Theresults show that the approximation applied, in which the umbrella mode is not accounted for explicitly inthe scattering calculations, gives good results for some vibrationally selected reaction cross sections. Inagreement with previous results, we find that the umbrella mode is more efficient in promoting the O(3P) +CH4 → OH + CH3 reaction and that the stretching vibration enhances the O(3P) + CH3D → OD + CH3reaction.
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