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Chemical Sciences Division
Leonori, F.; Skouteris, D.; Petrucci, R.; Casavecchia, P.; Rosi, M.; Balucani, N.|
Combined crossed beam and theoretical studies of the C(D) + CH4 reaction
J. Chem. Phys.
C(1D) + CH4 → C2H2 + H2
C(1D) + CH4 → Products
1.1x10-2 [cm3/molecule s]
Transition state theory
Electronic structure calculations of the reaction potential energy surface and Rice–Ramsperger–Kassel–Marcus (RRKM) estimates of rates and branching ratios have been performed for the conditions of the molecular beam experiments performed in the same work at a collision energy of 25.3 kJ/mol. The obtained branching fraction corresponds to this energy. No thermal rate constant or branching ratio values were obtained.
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