activity
20172020
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 · 13 across the 4 of their papers we have counts for

collaborators
Showing 2020Show all

1 paper · 1 filter

physics.chem-ph2020

The role of silanol nests in the activation of the [Fe=O]2+ group in the reaction of hydrogen atom transfer from methane

Viktor Yu. Kovalskii

Silanol nests can play the role of places into which positively charged groups, such as, [FeO]2+, can invade. In the framework of this work, the influence of such structures on the…