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 | 222 | 2015 |
Charge migration and charge transfer in molecular systems HJ Wörner, CA Arrell, N Banerji, A Cannizzo, M Chergui, AK Das, ... Structural dynamics 4 (6), 2017 | 204 | 2017 |
A von Hamos x-ray spectrometer based on a segmented-type diffraction crystal for single-shot x-ray emission spectroscopy and time-resolved resonant inelastic x-ray scattering … J Szlachetko, M Nachtegaal, E De Boni, M Willimann, O Safonova, J Sa, ... Review of Scientific Instruments 83 (10), 2012 | 202 | 2012 |
Hard X-ray photon-in photon-out spectroscopy P Glatzel, M Sikora, G Smolentsev, M Fernández-García Catalysis Today 145 (3-4), 294-299, 2009 | 179 | 2009 |
X-ray emission spectroscopy to study ligand valence orbitals in Mn coordination complexes G Smolentsev, AV Soldatov, J Messinger, K Merz, T Weyhermüller, ... Journal of the American Chemical Society 131 (36), 13161-13167, 2009 | 167 | 2009 |
Quantitative local structure refinement from XANES: multi-dimensional interpolation approach G Smolentsev, A Soldatov Journal of synchrotron radiation 13 (1), 19-29, 2006 | 145 | 2006 |
Valence-to-core X-ray emission spectroscopy identification of carbide compounds in nanocrystalline Cr coatings deposited from Cr (III) electrolytes containing organic substances VA Safonov, LN Vykhodtseva, YM Polukarov, OV Safonova, ... The Journal of Physical Chemistry B 110 (46), 23192-23196, 2006 | 134 | 2006 |
FitIt: New software to extract structural information on the basis of XANES fitting G Smolentsev, AV Soldatov Computational materials science 39 (3), 569-574, 2007 | 130 | 2007 |
Palladium versus platinum: the metal in the catalytic center of a molecular photocatalyst determines the mechanism of the hydrogen production with visible light MG Pfeffer, B Schäfer, G Smolentsev, J Uhlig, E Nazarenko, J Guthmuller, ... Angewandte Chemie International Edition 54 (17), 5044-5048, 2015 | 125 | 2015 |
{Co4O4} and {CoxNi4–xO4} Cubane Water Oxidation Catalysts as Surface Cut-Outs of Cobalt Oxides F Song, R Moré, M Schilling, G Smolentsev, N Azzaroli, T Fox, S Luber, ... Journal of the American Chemical Society 139 (40), 14198-14208, 2017 | 115 | 2017 |
Spin-state studies with XES and RIXS: From static to ultrafast G Vankó, A Bordage, P Glatzel, E Gallo, M Rovezzi, W Gawelda, A Galler, ... Journal of Electron Spectroscopy and Related Phenomena 188, 166-171, 2013 | 107 | 2013 |
Room-temperature carbon monoxide oxidation by oxygen over Pt/Al2O3 mediated by reactive platinum carbonates MA Newton, D Ferri, G Smolentsev, V Marchionni, M Nachtegaal Nature communications 6 (1), 8675, 2015 | 104 | 2015 |
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 | 101 | 2020 |
Influence of ligand substitution on excited state structural dynamics in Cu (I) bisphenanthroline complexes JV Lockard, S Kabehie, JI Zink, G Smolentsev, A Soldatov, LX Chen The Journal of Physical Chemistry B 114 (45), 14521-14527, 2010 | 90 | 2010 |
Visualizing Interfacial Charge Transfer in Ru-Dye-Sensitized TiO2 Nanoparticles Using X-ray Transient Absorption Spectroscopy X Zhang, G Smolentsev, J Guo, K Attenkofer, C Kurtz, G Jennings, ... The Journal of Physical Chemistry Letters 2 (6), 628-632, 2011 | 82 | 2011 |
Localized holes and delocalized electrons in photoexcited inorganic perovskites: Watching each atomic actor by picosecond X-ray absorption spectroscopy FG Santomauro, J Grilj, L Mewes, G Nedelcu, S Yakunin, T Rossi, ... Structural Dynamics 4 (4), 2017 | 80 | 2017 |
Triplet excited state distortions in a pyrazolate bridged platinum dimer measured by X-ray transient absorption spectroscopy JV Lockard, AA Rachford, G Smolentsev, AB Stickrath, X Wang, X Zhang, ... The Journal of Physical Chemistry A 114 (48), 12780-12787, 2010 | 80 | 2010 |
Three-dimensional local structure refinement using a full-potential XANES analysis G Smolentsev, AV Soldatov, MC Feiters Physical Review B—Condensed Matter and Materials Physics 75 (14), 144106, 2007 | 72 | 2007 |
Three-dimensional local structure of photoexcited Cu diimine complex refined by quantitative XANES analysis G Smolentsev, AV Soldatov, LX Chen The Journal of Physical Chemistry A 112 (24), 5363-5367, 2008 | 68 | 2008 |
Understanding the electronic structure of 4d metal complexes: from molecular spinors to L-edge spectra of a di-Ru catalyst I Alperovich, G Smolentsev, D Moonshiram, JW Jurss, JJ Concepcion, ... Journal of the American Chemical Society 133 (39), 15786-15794, 2011 | 63 | 2011 |