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20082018
most citedHidden radical reactivity of the [FeO]2+ group of the (hydro)oxide species in the H-abstraction from methane: a DFT and CASPT2 study

13 citations · 17 across the 3 of their papers we have counts for

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Showing 2018 · physics.chem-phShow all

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physics.chem-ph2018

Water oxidation versus hydroxylation by the terminal oxo center of the Fe(III)-hydroxide: DFT predictions

Aleksandr A. Shubin, Viktor Yu. Kovalskii, Sergey Ph. Ruzankin +2

The O-O coupling process is considered on terminal monocoordinated oxo centers in the gamma FeOOH hydroxide modeled by iron tetramer cubane cluster with the Fe4O4 core. The density…