Aram Bugaev
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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
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
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
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
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
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
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
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
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
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
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
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
Exploring structure and reactivity of Cu sites in functionalized UiO-67 MOFs
L Braglia, E Borfecchia, L Maddalena, S Řien, KA Lomachenko, ...
Catalysis Today 283, 89-103, 2017
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
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
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
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
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
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
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
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