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Author(s):   Simmie, J.M.; Curran, H.J.
Title:   Energy Barriers for the Addition of H, CH3, and C2H5 to CH2=CHX [X = H, CH3, OH] and for H-Atom Addition to RCH=O [R = H, CH3, C2H5, n-C3H7]: Implications for the Gas-Phase Chemistry of Enols
Journal:   J. Phys. Chem. A
Volume:   113
Page(s):   7834 - 7845
Year:   2009
Reference type:   Journal article
Squib:   2009SIM/CUR7834-7845

Reaction:   CH3CH2CH2CHO + → CH3CH2CH2C(·)HOH
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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