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Author(s):   Zhao, M.; Zhao, Y.L.; Liu, P.J.; Chang, Y.F.; Pan, X.M.; Su, Z.M.; Wang, R.S.
Title:   Quantum chemical study on the reaction mechanism of OBO radical with OH radical
Journal:   Chin. J. Chem.
Volume:   22
Page(s):   611 - 615
Year:   2004
Reference type:   Journal article
Squib:   2004ZHA/ZHA611-615

Reaction:   ·OH + BrO2 → HOBrO2
Reaction order:   2
Rate expression:   no rate data available
Category:  Theory
Data type:   Barrier height only calculated
Comments:   CCSD(T)/6-311-G(d,p)//B3LYP/6-311-G(d,p), complicated reaction sequence (four IM), no expt comp available, high barrier, probably negligible channel, exothermic

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