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Author(s):   Peiro-Garcia, J.; Nebot-Gil, I.
Title:   An ab initio study on the mechanism of the F+O3 -> FO+O2 reaction: comparative reactivity study along the isoelectronic NH2, OH and F radicals series
Journal:   Chem. Phys. Lett.
Volume:   391
Page(s):   195 - 199
Year:   2004
Reference type:   Journal article
Squib:   2004PEI/NEB195-199

Reaction:   O3 + ·FO2 + OF
Reaction order:   2
Rate expression:   no rate data available
Category:  Theory
Data type:   Ab initio
Comments:   Reaction PES was studies using a variety of quantum chemical methods. Single-reference methods yield two-step reaction mechanism; however, milticonfigurational CASSCF PES shows a one-step reaction mechanism. No rate constant values are reported.

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