Reaction Kinetics and Catalysis Letters, Vol.69, No.2, 379-384, 2000
Statistical adiabatic channel model calculations of the reaction of H atoms and FO radicals on ab initio potential energy surfaces
The statistical adiabatic channel model has been used to calculate rate coefficients for the reaction between H atoms and FO radicals on potential energy surfaces based on density functional theory and nh initio calculations between 200 and 1000 K. The rate coefficient calculated at 300 K with the ab initio potential is in good agreement with a recently reported experimental value.