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Chemical Sciences Division
Tucceri, M.E.; Bracco, L.B.; Cobos, C.J.|
Theoretical study of the molecular properties and the formation kinetics of the FS(O2)OCO radical
Chem. Phys. Lett.
127 - 131
CO + FSO3 → FS(O2)OCO
3.6x10-17 [±3.2x10-17 cm3/molecule s]
Transition state theory
Rate constant is high pressure limit
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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