Abstract
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 ab 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.
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Cobos, C. Statistical Adiabatic Channel Model Calculations of the Reaction of H Atoms and FO Radicals on Ab Initio Potential Energy Surfaces. Reaction Kinetics and Catalysis Letters 69, 379–384 (2000). https://doi.org/10.1023/A:1005628723057
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DOI: https://doi.org/10.1023/A:1005628723057