output
20052026
most citedTribochemistry, mechanical alloying, mechanochemistry: what is in a name?

205 citations

researchers with a paper here

Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

collaborating institutions
Showing physics.chem-phShow all

5 papers · 1 filter

physics.chem-ph2021★ 19 cited

Nafion-induced reduction of manganese and its impact on the electrocatalytic properties of a highly active MnFeNi oxide for bifunctional oxygen conversion

Dulce M. Morales, Javier Villalobos, Mariya A. Kazakova +2

Electrocatalysts for bifunctional oxygen reduction (ORR) and oxygen evolution reaction (OER) are commonly studied under hydrodynamic conditions, rendering the use of binders necess…

physics.chem-ph2019★ 17 cited

First-Principle Study of Adsorption and Desorption of Chlorine on Cu(111) Surface. Does Chlorine or Copper Chloride Desorb?

Tatiana V. Pavlova, Boris V. Andryushechkin, Georgy M. Zhidomirov

First-principle density-functional calculations have been applied to study the interaction of molecular chlorine with the (111) plane of copper. Using transition-state search metho…

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…

physics.chem-ph2017★ 13 cited

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

V. Kovalskii, A. A. Shubin, Y. Chen +5

Reactivity of the [FeO]2+ group in the abstraction of hydrogen from methane is determined by metastable oxyl state FeIII-O* causing the negative spin polarization of the methyl moi…

physics.chem-ph2008★ 4 cited

Paired Orbitals for Different Spins equations

Igor Zilberberg, Sergey Ph. Ruzankin

Eigenvalue-type equations for Lowdin-Amos-Hall spin-paired (corresponding) orbitals are developed to provide an alternative to the standard spin-polarized Hartree-Fock or Kohn-Sham…