Publications

• 2024

  Exploiting graph theory in MD simulations for extracting chemical and physical properties of materials

  Sana Bougueroua / A.A. Kolganov / Chloe Helain / Coralie Zens / Dominique Barth / E.A. Pidko / Marie Pierre Gaigeot

• 2024

  Plasmon-Mediated Organic Photoelectrochemistry Applied to Amination Reactions

  Vladislav Buravets / Oleg Gorin / Vasilii Burtsev / Anna Zabelina / Denis Zabelin / Jiri Kosina / Jaroslav Maixner / Vaclav Svorcik / Alexander A. Kolganov / Evgeny A. Pidko / Oleksiy Lyutakov

• 2023

  Homogeneous Catalysis in Plastic Waste Upcycling

  A DFT Study on the Role of Imperfections in Polymer Chains
  Alexander A. Kolganov / S.A. Avadakkam / Evgeny A. Pidko

• 2023

  Speciation and Reactivity Control of Cu-Oxo Clusters via Extraframework Al in Mordenite for Methane Oxidation

  Lei Tao / Elena Khramenkova / Insu Lee / Takaaki Ikuno / Rachit Khare / Andreas Jentys / John L. Fulton / Alexander A. Kolganov / Evgeny A. Pidko / Maricruz Sanchez-Sanchez / Johannes A. Lercher

• 2022

  Property-activity relations of multifunctional reactive ensembles in cation-exchanged zeolites

  a case study of methane activation on Zn²⁺-modified zeolite BEA
  Alexander A. Kolganov / Anton A. Gabrienko / Ivan Yu Chernyshov / Alexander G. Stepanov / Evgeny A. Pidko

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