| OpenMolcas: From source code to insight I Fdez. Galván, M Vacher, A Alavi, C Angeli, F Aquilante, J Autschbach, ... Journal of chemical theory and computation 15 (11), 5925-5964, 2019 | 723 | 2019 |
| Tuning range-separated density functional theory for photocatalytic water splitting systems OS Bokareva, G Grell, SI Bokarev, O Kühn Journal of Chemical Theory and Computation 11 (4), 1700-1709, 2015 | 74 | 2015 |
| Multi-reference approach to the calculation of photoelectron spectra including spin-orbit coupling G Grell, SI Bokarev, B Winter, R Seidel, EF Aziz, SG Aziz, O Kühn The Journal of chemical physics 143 (7), 2015 | 56 | 2015 |
| Electron-and energy-transfer processes in a photocatalytic system based on an Ir (III)-photosensitizer and an iron catalyst A Neubauer, G Grell, A Friedrich, SI Bokarev, P Schwarzbach, F Gärtner, ... The Journal of Physical Chemistry Letters 5 (8), 1355-1360, 2014 | 53 | 2014 |
| Joint analysis of radiative and non-radiative electronic relaxation upon X-ray irradiation of transition metal aqueous solutions R Golnak, SI Bokarev, R Seidel, J Xiao, G Grell, K Atak, I Unger, ... Scientific reports 6 (1), 24659, 2016 | 46 | 2016 |
| Ultrafast Spin Crossover in [FeII(bpy)3]2+: Revealing Two Competing Mechanisms by Extreme Ultraviolet Photoemission Spectroscopy A Moguilevski, M Wilke, G Grell, SI Bokarev, SG Aziz, N Engel, ... ChemPhysChem 18 (5), 465-469, 2017 | 43 | 2017 |
| Light-induced relaxation dynamics of the ferricyanide ion revisited by ultrafast XUV photoelectron spectroscopy N Engel, SI Bokarev, A Moguilevski, AA Raheem, R Al-Obaidi, T Möhle, ... Physical Chemistry Chemical Physics 19 (22), 14248-14255, 2017 | 39 | 2017 |
| Multi-reference protocol for (auto) ionization spectra: Application to molecules G Grell, SI Bokarev The Journal of chemical physics 152 (7), 2020 | 17 | 2020 |
| Multireference quantum chemistry protocol for simulating autoionization spectra: Test of ionization continuum models for the neon atom G Grell, O Kühn, SI Bokarev Physical Review A 100 (4), 042512, 2019 | 16 | 2019 |
| Tuned range-separated density functional theory and Dyson orbital formalism for photoelectron spectra T Möhle, OS Bokareva, G Grell, O Kühn, SI Bokarev Journal of chemical theory and computation 14 (11), 5870-5880, 2018 | 16 | 2018 |
| Ultrafast kinetics of linkage isomerism in Na2 [Fe (CN) 5NO] aqueous solution revealed by time-resolved photoelectron spectroscopy AA Raheem, M Wilke, M Borgwardt, N Engel, SI Bokarev, G Grell, SG Aziz, ... Structural Dynamics 4 (4), 2017 | 16 | 2017 |
| Photoelectron shake-ups as a probe of molecular symmetry: 4d XPS analysis of I 3− in solution J Norell, G Grell, O Kühn, M Odelius, SI Bokarev Physical Chemistry Chemical Physics 20 (30), 19916-19921, 2018 | 8 | 2018 |
| Erratum: “Multi-reference approach to the calculation of photoelectron spectra including spin-orbit coupling” [J. Chem. Phys. 143, 074104 (2015)] G Grell, SI Bokarev, B Winter, R Seidel, EF Aziz, SG Aziz, O Kühn The Journal of chemical physics 145 (8), 089901, 2016 | 7 | 2016 |
| Time-resolved diffraction: general discussion F Allum, K Amini, M Ashfold, D Bansal, RJF Berger, M Centurion, G Dixit, ... Faraday Discussions 228, 161-190, 2021 | 3 | 2021 |
| Effect of the shot-to-shot variation on charge migration induced by sub-fs x-ray free-electron laser pulses G Grell, Z Guo, T Driver, P Decleva, E Plésiat, A Picón, ... Physical Review Research 5 (2), 023092, 2023 | 2 | 2023 |
| Time-resolved ultrafast spectroscopy: general discussion M Ashfold, M Chergui, I Fischer, L Ge, G Grell, M Ivanov, A Kirrander, ... Faraday Discussions 228, 329-348, 2021 | 1 | 2021 |
| First principle simulation approach for attosecond XUV pump-XUV probe spectra for small organic molecules G Grell, J González-Vázquez, P Decleva, A Palacios, F Martín APS Division of Atomic, Molecular and Optical Physics Meeting Abstracts 2023 …, 2023 | | 2023 |
| Theoretical Calculations of the Resonant Double Core-Excitation and Autoionization Decay of N2 A Fouda, G Grell, S Bokarev, P Ho, E Pelimanni, L Young, J Cryan, ... APS Division of Atomic, Molecular and Optical Physics Meeting Abstracts 2023 …, 2023 | | 2023 |
| Influence of the shot-to-shot variation of sub-fs soft X-Ray free electron laser pulses on pump-probe measurements of attosecond charge migration in aromatic molecules G Grell, P Decleva, A Palacios, F Martín APS Division of Atomic, Molecular and Optical Physics Meeting Abstracts 2023 …, 2023 | | 2023 |
| Strong-field physics: general discussion K Acheson, F Allum, R Das, G Dixit, H Doan, E Fasshauer, L Ge, G Grell, ... Faraday Discussions 228, 470-487, 2021 | | 2021 |
Sergey I. BokarevChemistry Department, The Technical University of Munich, Garching, GermanyBestätigte E-Mail-Adresse bei uni-rostock.de
