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Author(s):   Dangi, B. B.; Parker, D. S. N.; Kaiser, R. I.; Belisario-Lara, D.; Mebel, A. M.
Title:   An experimental and theoretical investigation of the formation of C7H7 isomers in the bimolecular reaction of dicarbon molecules with 1,3-pentadiene
Journal:   Chem. Phys. Lett.
Volume:   607
Page(s):   92 - 99
Year:   2014
Reference type:   Journal article
Squib:   2014DAN/PAR92-99

Reaction:   CH2=CHCH=CHCH3 + C2 → Products
Reaction order:   2
Rate expression:   no rate data available
Category:  Theory
Data type:   Ab initio
Comments:   Reaction potential energy surface was studied using quantum chemistry and product channels were analyzed. Energy-specific branching fractions were calculated using statistical rate theory. No thermal rate constant values were reported.

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