13 citations · 30 across the 7 of their papers we have counts for
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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…
physics.chem-ph2018
Electron configuration of the [FeO](2+) group in the H-abstraction from methane: oxyl versus ferryl
Igor L. Zilberberg
This account presents author's opinion on the mechanism of the H-abstraction from methane by the [FeO](2+) group. In the course of reaction with hydrogen, the Fe-O bond in the ferr…
cond-mat.mtrl-sci2018
Effect of support on the vanadyl oxygen abstraction in supported vanadia
Viktor Kovalskii, Igor Zilberberg
Supported vanadia catalysts are modeled within the cluster DFT approach to get an insight into the mechanism in which the support affects the activity of vanadia in the oxidation p…