| Optimized finite difference method for the full-potential XANES simulations: Application to molecular adsorption geometries in MOFs and metal–ligand intersystem crossing transients SA Guda, AA Guda, MA Soldatov, KA Lomachenko, AL Bugaev, ... Journal of chemical theory and computation 11 (9), 4512-4521, 2015 | 233 | 2015 |
| In situ formation of hydrides and carbides in palladium catalyst: when XANES is better than EXAFS and XRD AL Bugaev, AA Guda, A Lazzarini, KA Lomachenko, E Groppo, ... Catalysis Today 283, 119-126, 2017 | 137 | 2017 |
| Unravelling the Redox‐catalytic Behavior of Ce4+ Metal–Organic Frameworks by X‐ray Absorption Spectroscopy S Smolders, KA Lomachenko, B Bueken, A Struyf, AL Bugaev, C Atzori, ... ChemPhysChem 19 (4), 373-378, 2018 | 112 | 2018 |
| PyFitit: the software for quantitative analysis of XANES spectra using machine-learning algorithms A Martini, SA Guda, AA Guda, G Smolentsev, A Algasov, O Usoltsev, ... Computer Physics Communications 250, 107064, 2020 | 111 | 2020 |
| Understanding X-ray absorption spectra by means of descriptors and machine learning algorithms AA Guda, SA Guda, A Martini, AN Kravtsova, A Algasov, A Bugaev, ... npj Computational Materials 7 (1), 203, 2021 | 104 | 2021 |
| Temperature- and Pressure-Dependent Hydrogen Concentration in Supported PdHx Nanoparticles by Pd K-Edge X-ray Absorption Spectroscopy AL Bugaev, AA Guda, KA Lomachenko, VV Srabionyan, LA Bugaev, ... The Journal of Physical Chemistry C 118 (19), 10416-10423, 2014 | 100 | 2014 |
| Quantitative structural determination of active sites from in situ and operando XANES spectra: from standard ab initio simulations to chemometric and machine learning approaches AA Guda, SA Guda, KA Lomachenko, MA Soldatov, IA Pankin, ... Catalysis Today 336, 3-21, 2019 | 96 | 2019 |
| Exact Stoichiometry of CexZr6–x Cornerstones in Mixed-Metal UiO-66 Metal–Organic Frameworks Revealed by Extended X-ray Absorption Fine Structure … KA Lomachenko, J Jacobsen, AL Bugaev, C Atzori, F Bonino, S Bordiga, ... Journal of the American Chemical Society 140 (50), 17379-17383, 2018 | 89 | 2018 |
| EXAFS study of size dependence of atomic structure in palladium nanoparticles VV Srabionyan, AL Bugaev, VV Pryadchenko, LA Avakyan, ... Journal of Physics and Chemistry of Solids 75 (4), 470-476, 2014 | 83 | 2014 |
| Core–shell structure of palladium hydride nanoparticles revealed by combined X-ray absorption spectroscopy and X-ray diffraction AL Bugaev, AA Guda, KA Lomachenko, VV Shapovalov, A Lazzarini, ... The Journal of Physical Chemistry C 121 (33), 18202-18213, 2017 | 82 | 2017 |
| Modulator effect in UiO-66-NDC (1, 4-naphthalenedicarboxylic acid) synthesis and comparison with UiO-67-NDC isoreticular metal–organic frameworks VV Butova, AP Budnyk, AA Guda, KA Lomachenko, AL Bugaev, ... Crystal Growth & Design 17 (10), 5422-5431, 2017 | 74 | 2017 |
| Palladium Carbide and Hydride Formation in the Bulk and at the Surface of Palladium Nanoparticles AL Bugaev, OA Usoltsev, AA Guda, KA Lomachenko, IA Pankin, ... The Journal of Physical Chemistry C 122 (22), 12029–12037, 2018 | 71 | 2018 |
| Exploring structure and reactivity of Cu sites in functionalized UiO-67 MOFs L Braglia, E Borfecchia, L Maddalena, S Øien, KA Lomachenko, ... Catalysis Today 283, 89-103, 2017 | 67 | 2017 |
| Shape-selective C–H activation of aromatics to biarylic compounds using molecular palladium in zeolites J Vercammen, M Bocus, S Neale, A Bugaev, P Tomkins, J Hajek, ... Nature Catalysis 3 (12), 1002-1009, 2020 | 61 | 2020 |
| Operando study of palladium nanoparticles inside UiO-67 MOF for catalytic hydrogenation of hydrocarbons AL Bugaev, AA Guda, KA Lomachenko, EG Kamyshova, MA Soldatov, ... Faraday Discussions 208, 287-306, 2018 | 61 | 2018 |
| Partial and Complete Substitution of the 1, 4-Benzenedicarboxylate Linker in UiO-66 with 1, 4-Naphthalenedicarboxylate: Synthesis, Characterization, and H2-Adsorption Properties VV Butova, AP Budnyk, KM Charykov, KS Vetlitsyna-Novikova, ... Inorganic chemistry 58 (2), 1607–1620, 2019 | 56 | 2019 |
| The insights from X-ray absorption spectroscopy into the local atomic structure and chemical bonding of metal–organic frameworks MA Soldatov, A Martini, AL Bugaev, I Pankin, PV Medvedev, AA Guda, ... Polyhedron 155, 232-253, 2018 | 54 | 2018 |
| Time-resolved operando studies of carbon supported Pd nanoparticles under hydrogenation reactions by X-ray diffraction and absorption AL Bugaev, OA Usoltsev, A Lazzarini, KA Lomachenko, AA Guda, ... Faraday Discussions 208, 187-205, 2018 | 54 | 2018 |
| S, O-Functionalized Metal–Organic Frameworks as Heterogeneous Single-Site Catalysts for the Oxidative Alkenylation of Arenes via C–H activation N Van Velthoven, M Henrion, J Dallenes, A Krajnc, AL Bugaev, P Liu, ... ACS Catalysis 10 (9), 5077-5085, 2020 | 50 | 2020 |
| EXAFS study of changes in atomic structure of silver nanoparticles in soda-lime glass caused by annealing VV Srabionyan, AL Bugaev, VV Pryadchenko, AV Makhiboroda, ... Journal of non-crystalline solids 382, 24-31, 2013 | 44 | 2013 |
Alexander SoldatovSouthern Federal universityE-mail confirmado em sfedu.ru