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Death and Life of Catalysts: a Theory-Guided Unified Approach for Non-Critical Metal Catalyst Development

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Publications

Catalytic (de)hydrogenation promoted by non-precious metals – Co, Fe and Mn: recent advances in an emerging field

Author(s): Georgy A. Filonenko, Robbert van Putten, Emiel J. M. Hensen, Evgeny A. Pidko
Published in: Chemical Society Reviews, Issue 47/4, 2018, Page(s) 1459-1483, ISSN 0306-0012
DOI: 10.1039/C7CS00334J

Engineering of Transition Metal Catalysts Confined in Zeolites

Author(s): Nikolay Kosinov, Chong Liu, Emiel J. M. Hensen, Evgeny A. Pidko
Published in: Chemistry of Materials, Issue 30/10, 2018, Page(s) 3177-3198, ISSN 0897-4756
DOI: 10.1021/acs.chemmater.8b01311

Degradation paths of manganese-based MOF materials in a model oxidative environment: a computational study

Author(s): Elena V. Khramenkova, Mikhail V. Polynski, Alexander V. Vinogradov, Evgeny A. Pidko
Published in: Physical Chemistry Chemical Physics, Issue 20, 2018, Page(s) 20785-20795, ISSN 1463-9076
DOI: 10.1039/C8CP00397A

Computational insights into the catalytic role of the base promoters in ester hydrogenation with homogeneous non-pincer-based Mn-P,N catalyst

Author(s): Chong Liu, Robbert van Putten, Pavel O. Kulyaev, Georgy A. Filonenko, Evgeny A. Pidko
Published in: Journal of Catalysis, Issue 363, 2018, Page(s) 136-143, ISSN 0021-9517
DOI: 10.1016/j.jcat.2018.04.018

Towards operando computational modeling in heterogeneous catalysis

Author(s): Lukáš Grajciar, Christopher J. Heard, Anton A. Bondarenko, Mikhail V. Polynski, Jittima Meeprasert, Evgeny A. Pidko, Petr Nachtigall
Published in: Chemical Society Reviews, Issue volume 47, issue 22, 2018, Page(s) 8307-8348, ISSN 0306-0012
DOI: 10.1039/c8cs00398j

Tracking Local Mechanical Impact in Heterogeneous Polymers with Direct Optical Imaging

Author(s): Georgy A. Filonenko, Jody A. M. Lugger, Chong Liu, Ellen P. A. van Heeswijk, Marco M. R. M. Hendrix, Manuela Weber, Christian Müller, Emiel J. M. Hensen, Rint P. Sijbesma, Evgeny A. Pidko
Published in: Angewandte Chemie International Edition, Issue 57/50, 2018, Page(s) 16385-16390, ISSN 1433-7851
DOI: 10.1002/anie.201809108

Computational Approach to Molecular Catalysis by 3d Transition Metals: Challenges and Opportunities

Author(s): Konstantinos D. Vogiatzis, Mikhail V. Polynski, Justin K. Kirkland, Jacob Townsend, Ali Hashemi, Chong Liu, Evgeny A. Pidko
Published in: Chemical Reviews, Issue 119/4, 2018, Page(s) 2453-2523, ISSN 0009-2665
DOI: 10.1021/acs.chemrev.8b00361

Fuelling the hydrogen economy: Scale-up of an integrated formic acid-to-power system

Author(s): Robbert van Putten, Tim Wissink, Tijn Swinkels, Evgeny A. Pidko
Published in: International Journal of Hydrogen Energy, Issue 53, 2019, Page(s) 28533, ISSN 0360-3199
DOI: 10.1016/j.ijhydene.2019.01.153

Efficient and Practical Transfer Hydrogenation of Ketones Catalyzed by a Simple Bidentate Mn−NHC Complex

Author(s): Robbert van Putten, Joeri Benschop, Vincent J. de Munck, Manuela Weber, Christian Müller, Georgy A. Filonenko, Evgeny A. Pidko
Published in: ChemCatChem, 2019, ISSN 1867-3880
DOI: 10.1002/cctc.201900882

Multicolor Organometallic Mechanophores for Polymer Imaging Driven by Exciplex Level Interactions

Author(s): Georgy A. Filonenko, Dapeng Sun, Manuela Weber, Christian Müller, Evgeny A. Pidko
Published in: Journal of the American Chemical Society, Issue 141/24, 2019, Page(s) 9687-9692, ISSN 0002-7863
DOI: 10.1021/jacs.9b04121

Mechanistic Complexity of Asymmetric Transfer Hydrogenation with Simple Mn–Diamine Catalysts

Author(s): Robbert van Putten, Georgy A. Filonenko, Angela Gonzalez de Castro, Chong Liu, Manuela Weber, Christian Müller, Laurent Lefort, Evgeny Pidko
Published in: Organometallics, Issue 38/16, 2019, Page(s) 3187-3196, ISSN 0276-7333
DOI: 10.1021/acs.organomet.9b00457

Operando Modeling of Multicomponent Reactive Solutions in Homogeneous Catalysis: from Non‐standard Free Energies to Reaction Network Control

Author(s): Pavel O. Kuliaev, Evgeny A. Pidko
Published in: ChemCatChem, 2019, ISSN 1867-3880
DOI: 10.1002/cctc.201901911