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Author(s):   Temelso, B.;Sherrill, C.D.;Merkle, R.C.;Freitas, R.A.
Title:   High-level ab initio studies of hydrogen abstraction from prototype hydrocarbon systems
Journal:   J. Phys. Chem. A
Volume:   110
Page(s):   11160 - 11173
Year:   2006
Reference type:   Journal article
Squib:   2006TEM/SHE11160-11173

Reaction:   iso-C4H10 + ·C2HC2H2 + tert-C4H9
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. No rate constant values were calculated.

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