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Chemical Sciences Division
Applied Chemicals and Materials Division
Gahlaut, A.; Paranjothy, M.
Theoretical investigation of the dissociation chemistry of formyl halides in the gas phase
Phys. Chem. Chem. Phys.
20069 - 20077
HC(O)Cl → Products
no rate data available
Transition state theory
Reaction potential energy surface was studied using quantum chemistry and product channels were analyzed. Decomposition reaction was studied using direct chemical dynamics simulations and
RRKM energy-specific rate constant calculations. No thermal rate constant values were calculated.
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