Hidden radical reactivity of the [FeO]2+ group in the H-abstraction from methane

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

Research output: Contribution to journal › Article › peer-review

HYDROGEN-ATOM TRANSFER, CATALYTIC-OXIDATION, PAIRED ORBITALS, HYDROXIDE, ENZYMES, WATER, DETERMINANT, PREDICTIONS, CHEMISTRY, DIOXYGEN

ID: 10192839