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Author(s):   Tucceri, M.E.; Bracco, L.B.; Cobos, C.J.
Title:   Theoretical study of the molecular properties and the formation kinetics of the FS(O2)OCO radical
Journal:   Chem. Phys. Lett.
Volume:   490
Page(s):   127 - 131
Year:   2010
Reference type:   Journal article
Squib:   2010TUC/BRA127-131

Reaction:   CO + FSO3 → FS(O2)OCO
Reaction order:   2
Temperature:   298 K
Rate expression:   3.6x10-17 [±3.2x10-17 cm3/molecule s]
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is high pressure limit
Comments:   Reaction potential energy surface was studied using quantum chemistry and rate constant at room temperature was calculated using transition state theory with tunneling correction. The reported value is the average of values obtained using potential energy surfaces calculated with different quantum chemical methods.

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