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Author(s):   Jamal, A.; Mebel, A.M.
Title:   An ab initio/RRKM study of the reaction mechanism and product branching ratios of the reactions of ethynyl radical with allene and methylacetylene
Journal:   Phys. Chem. Chem. Phys.
Volume:   12
Page(s):   2606 - 2618
Year:   2010
Reference type:   Journal article
Squib:   2010JAM/MEB2606-2618

Reaction:   CH3CCH + ·C2HCH3C≡CC≡CH +
Reaction order:   2
Rate expression:   no rate data available
Category:  Theory
Data type:   Data too complex to abstract
Comments:   Quantum chemical calculations were performed to investigate the reaction mechanism of ethynyl radical with allene and methylacetylene. Product channels were analyzed. RRKM calculations of energy-dependent reaction rate constants and product branching ratios under single-collision conditions were performed. No thermal rate constants were calculated.

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