Publications by authors named "Gilbert Grell"

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Modeling the Evolution of Laser-Induced Electronic Coherences with Trajectory Surface Hopping.
Gilbert Grell, Jesús González-Vázquez, Francisco Fernández-Villoria, Alicia Palacios, Fernando Martín

J Chem Theory Comput· November 2025

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Ultrafast X-ray science: general discussion.
Felix Allum, Francesca Calegari, Stefano M Cavaletto, Martin Centurion, Gopal Dixit, Gilbert Grell

Faraday Discuss· May 2021

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Time-resolved diffraction: general discussion.
Felix Allum, Kasra Amini, Michael Ashfold, Dipanshu Bansal, Raphael J F Berger, Gilbert Grell

Faraday Discuss· May 2021

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Time-resolved ultrafast spectroscopy: general discussion.
Michael Ashfold, Majed Chergui, Ingo Fischer, Lingfeng Ge, Gilbert Grell

Faraday Discuss· May 2021

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Strong-field physics: general discussion.
Kyle Acheson, Felix Allum, Rituparna Das, Gopal Dixit, Huan Doan, Gilbert Grell

Faraday Discuss· May 2021

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Multi-reference protocol for (auto)ionization spectra: Application to molecules.
Gilbert Grell, Sergey I Bokarev

J Chem Phys· February 2020

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OpenMolcas: From Source Code to Insight.
Ignacio Fdez Galván, Morgane Vacher, Ali Alavi, Celestino Angeli, Francesco Aquilante, Gilbert Grell

J Chem Theory Comput· November 2019

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Photoelectron shake-ups as a probe of molecular symmetry: 4d XPS analysis of I in solution.
Jesper Norell, Gilbert Grell, Oliver Kühn, Michael Odelius, Sergey I Bokarev

Phys Chem Chem Phys· August 2018

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Ultrafast kinetics of linkage isomerism in Na[Fe(CN)NO] aqueous solution revealed by time-resolved photoelectron spectroscopy.
Azhr A Raheem, Martin Wilke, Mario Borgwardt, Nicholas Engel, Sergey I Bokarev, Gilbert Grell

Struct Dyn· July 2017

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Light-induced relaxation dynamics of the ferricyanide ion revisited by ultrafast XUV photoelectron spectroscopy.
Nicholas Engel, Sergey I Bokarev, Alexandre Moguilevski, Azhr A Raheem, Ruba Al-Obaidi, Gilbert Grell

Phys Chem Chem Phys· June 2017

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Ultrafast Spin Crossover in [Fe (bpy) ] : Revealing Two Competing Mechanisms by Extreme Ultraviolet Photoemission Spectroscopy.
Alexandre Moguilevski, Martin Wilke, Gilbert Grell, Sergey I Bokarev, Saadullah G Aziz

Chemphyschem· March 2017

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Erratum: "Multi-reference approach to the calculation of photoelectron spectra including spin-orbit coupling" [J. Chem. Phys. 143, 074104 (2015)].
Gilbert Grell, Sergey I Bokarev, Bernd Winter, Robert Seidel, Emad F Aziz

J Chem Phys· August 2016

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Joint Analysis of Radiative and Non-Radiative Electronic Relaxation Upon X-ray Irradiation of Transition Metal Aqueous Solutions.
Ronny Golnak, Sergey I Bokarev, Robert Seidel, Jie Xiao, Gilbert Grell

Sci Rep· April 2016

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Multi-reference approach to the calculation of photoelectron spectra including spin-orbit coupling.
Gilbert Grell, Sergey I Bokarev, Bernd Winter, Robert Seidel, Emad F Aziz

J Chem Phys· August 2015

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Tuning Range-Separated Density Functional Theory for Photocatalytic Water Splitting Systems.
Olga S Bokareva, Gilbert Grell, Sergey I Bokarev, Oliver Kühn

J Chem Theory Comput· April 2015

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Electron- and Energy-Transfer Processes in a Photocatalytic System Based on an Ir(III)-Photosensitizer and an Iron Catalyst.
Antje Neubauer, Gilbert Grell, Aleksej Friedrich, Sergey I Bokarev, Patrick Schwarzbach

J Phys Chem Lett· April 2014

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