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Author(s):   Landera, A.; Krishtal, S.P.; Kislov, V.V.; Mebel, A.M.; Kaiser, R.I.
Title:   Theoretical study of the C6H3 potential energy surface and rate constants and product branching ratios of the C2H+C4H2 and C4H+C2H2 reactions
Journal:   J. Chem. Phys.
Volume:   128
Page(s):  
Year:   2008
Reference type:   Journal article
Squib:   2008LAN/KRI214301

Reaction:   1,3-Butadiyne + ·C2H → Products
Reaction order:   2
Temperature:   63.00 - 298 K
Rate expression:   1.0x10-10 [cm3/molecule s]
Rate constant is a lower limit.
Category:  Theory
Data type:   Ab initio
Comments:   The C2H+C4H2 reaction rate constants calculated by employing canonical variational transition state theory are found to be similar to those for the related C2H+C2H2 reaction in the order of magnitude of 10−10 cm3 molecule−1 s−1 for T=298–63 K, and to show a negative temperature dependence at low T

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