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Title: Molecular modeling studies of the reactions of phenoxy radical dimers: Pathways to dibenzofurans
Journal: J. Phys. Chem. A
Volume: 109
Page(s): 11198 - 11205
Year: 2005
Reference type: Journal article
Squib: 2005ASA/DAV11198-11205
Reaction:
C6H5O + C6H5O → Dibenzofuran + H2O
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 and product channels were analyzed. No rate constant values were calculated.
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