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Author(s):   Gahlaut, A.; Paranjothy, M.
Title:   Theoretical investigation of the dissociation chemistry of formyl halides in the gas phase
Journal:   Phys. Chem. Chem. Phys.
Volume:   22
Page(s):   20069 - 20077
Year:   2020
Reference type:   Journal article
Squib:   2020GAH/PAR20069-20077

Reaction:   HC(O)Cl → Products
Reaction order:   1
Rate expression:   no rate data available
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   None reported
Comments:   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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