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The Journal of Chemical Physics|February 24, 2020
Multi-reference protocol for (auto)ionization spectra: Application to moleculesGilbert Grell, Sergey I BokarevJournal of Chemical Theory and Computation|November 18, 2015
Tuning Range-Separated Density Functional Theory for Photocatalytic Water Splitting SystemsOlga S Bokareva, Gilbert Grell, Sergey I Bokarev, et al.Physical Chemistry Chemical Physics : PCCP|July 19, 2018
Photoelectron shake-ups as a probe of molecular symmetry: 4d XPS analysis of I<sub>3</sub><sup>-</sup> in solutionJesper Norell, Gilbert Grell, Oliver Kühn, et al.The Journal of Chemical Physics|August 24, 2015
Multi-reference approach to the calculation of photoelectron spectra including spin-orbit couplingGilbert Grell, Sergey I Bokarev, Bernd Winter, et al.The Journal of Chemical Physics|May 12, 2025
A frequency-domain approach to molecular photoionization via driven Schrödinger equationTobias Marx, Sergey I BokarevJournal of Chemical Theory and Computation|December 29, 2021
RhoDyn: A ρ-TD-RASCI Framework to Study Ultrafast Electron Dynamics in MoleculesVladislav Kochetov, Sergey I BokarevThe Journal of Physical Chemistry Letters|August 14, 2015
Electron- and Energy-Transfer Processes in a Photocatalytic System Based on an Ir(III)-Photosensitizer and an Iron CatalystAntje Neubauer, Gilbert Grell, Aleksej Friedrich, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|December 23, 2016
Ultrafast Spin Crossover in [Fe<sup>II</sup> (bpy)<sub>3</sub> ]<sup>2+</sup> : Revealing Two Competing Mechanisms by Extreme Ultraviolet Photoemission SpectroscopyAlexandre Moguilevski, Martin Wilke, Gilbert Grell, et al.The Journal of Chemical Physics|August 6, 2020
Effect of chemical structure on the ultrafast spin dynamics in core-excited statesVladislav Kochetov, Huihui Wang, Sergey I BokarevThe Journal of Chemical Physics|September 18, 2023
Spin-flip dynamics in core-excited states in the basis of irreducible spherical tensor operatorsThies Romig, Vladislav Kochetov, Sergey I BokarevPageof 4