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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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