A Møller-Plesset perturbation theory and coupled-cluster study of the reaction enthalpies and barrier heights for the FCO + H2 → HFCO + H abstraction reaction Original Research Article

The reaction of fluoroformyl radical, FCO, with molecular hydrogen, H2 has been studied using Møller-Plesset perturbation and coupled-cluster methods. The heat of reaction is found to be 3.1 kcal mol−1 with an activation enthalpy of 14.2 kcal mol−1.