Aram L. Bugaev

Optimized Finite Difference Method for the Full-Potential XANES Simulations: Application to Molecular Adsorption Geometries in MOFs and Metal–Ligand Intersystem Crossing Transients

Alexander A. Guda, Mikhail A. Soldatov, Kirill A. Lomachenko et al. · Journal of Chemical Theory and Computation · 2015 · 206 citations · Full text

X-ray Crystallography, X-ray Spectroscopy, Engineering +22

Understanding X-ray absorption spectra by means of descriptors and machine learning algorithms

Alexander A. Guda, Andrea Martini, Alexander Algasov et al. · npj Computational Materials · 2021 · 154 citations · Full text

X-ray Crystallography, X-ray Absorption Spectra, X-ray Spectroscopy +21

In situ formation of hydrides and carbides in palladium catalyst: When XANES is better than EXAFS and XRD

Aram L. Bugaev, Alexander A. Guda, Andrea Lazzarini et al. · Catalysis Today · 2016 · 132 citations · Full text

Materials Science, Engineering, Situ Formation +6

Unravelling the Redox‐catalytic Behavior of Ce⁴⁺ Metal–Organic Frameworks by X‐ray Absorption Spectroscopy

Simon Smolders, Kirill A. Lomachenko, Bart Bueken et al. · ChemPhysChem · 2017 · 115 citations

Exact Stoichiometry of Ce_<i>x</i>Zr_6–<i>x</i> Cornerstones in Mixed-Metal UiO-66 Metal–Organic Frameworks Revealed by Extended X-ray Absorption Fine Structure Spectroscopy

Kirill A. Lomachenko, Jannick Jacobsen, Aram L. Bugaev et al. · Journal of the American Chemical Society · 2018 · 108 citations · Full text