The FeIV-O• oxyl unit as a key intermediate in water oxidation on the FeIII-hydroxide

Original language	English
Article number	e26610
Journal	International Journal of Quantum Chemistry
Volume	121
Issue number	10
DOIs	https://doi.org/10.1002/qua.26610
Publication status	Published - 15 May 2021

negative spin density, oxyl oxygen, the FeOOH hydroxide, the O-O coupling, water oxidation

ID: 27766451

The FeIV-O• oxyl unit as a key intermediate in water oxidation on the FeIII-hydroxide: DFT predictions