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Author(s):   Zhang, W.C.; Du, B.N.; Mu, L.L.; Feng, C.J.
Title:   Computational study on the mechanism for the reaction of OH with 2-methylfuran
Journal:   J. Mol. Struct. Theochem
Volume:   851
Page(s):   353 - 357
Year:   2008
Reference type:   Journal article
Squib:   2008ZHA/DU353-357

Reaction:   2-Methylfuran + ·OH → Products
Reaction order:   2
Rate expression:   no rate data available
Category:  Theory
Data type:   Transition state theory
Comments:   The mechanism for the OH + 2-methylfuran reaction on the ground electronic state energy surface has been studied at the G3MP2B3 level of theory based on the geometric parameters optimized at the B3LYP/6-31G(d) level of theory.

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