Hidden radical reactivity of the [FeO]2+ group in the H-abstraction from methane: DFT and CASPT2 supported mechanism by the example of model iron (hydro)oxide species

Hidden radical reactivity of the [FeO]2+ group in the H-abstraction from methane: DFT and CASPT2 supported mechanism by the example of model iron (hydro)oxide species

Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics Letters - Volume 679, 1 July 2017, Pages 193-199

V. Kovalskii, A. Shubin, Y. Chen, D. Ovchinnikov, S.Ph. Ruzankin, J. Hasegawa, I. Zilberberg, V.N. Parmon,