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Author(s):   Leonori, F.; Skouteris, D.; Petrucci, R.; Casavecchia, P.; Rosi, M.; Balucani, N.
Title:   Combined crossed beam and theoretical studies of the C(D) + CH4 reaction
Journal:   J. Chem. Phys.
Volume:   138
Year:   2013
Book Title:   ''
Editor:   ''
Publisher:   ''
Publisher address:   ''
Comments:   ''
Reference type:   Journal article
Squib:   2013LEO/SKO24311

Reaction:   C(1D) + CH4C2H2 + H2
Reaction order:   2
Reference reaction:   C(1D) + CH4 → Products
Rate expression:   1.1x10-2 [cm3/molecule s]
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   None reported
Comments:   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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