Gilbert Grell

Gilbert Grell

Universidad Autónoma de Madrid - Madrid / Spain
Natural Sciences / Chemical Sciences
AD Scientific Index ID: 1591956
Autonomous University of Madrid
person_outline Gilbert Grell's MOST POPULAR ARTICLES
1-) OpenMolcas: From source code to insightI Fdez. Galván, M Vacher, A Alavi, C Angeli, F Aquilante, J Autschbach, ...Journal of chemical theory and computation 15 (11), 5925-5964, 20194462019
2-) Tuning range-separated density functional theory for photocatalytic water splitting systemsOS Bokareva, G Grell, SI Bokarev, O KühnJournal of Chemical Theory and Computation 11 (4), 1700-1709, 2015592015
3-) Multi-reference approach to the calculation of photoelectron spectra including spin-orbit couplingG Grell, SI Bokarev, B Winter, R Seidel, EF Aziz, SG Aziz, O KühnThe Journal of chemical physics 143 (7), 074104, 2015482015
4-) Electron-and energy-transfer processes in a photocatalytic system based on an Ir (III)-photosensitizer and an iron catalystA Neubauer, G Grell, A Friedrich, SI Bokarev, P Schwarzbach, F Gärtner, ...The Journal of Physical Chemistry Letters 5 (8), 1355-1360, 2014542014
5-) Joint analysis of radiative and non-radiative electronic relaxation upon X-ray irradiation of transition metal aqueous solutionsR Golnak, SI Bokarev, R Seidel, J Xiao, G Grell, K Atak, I Unger, ...Scientific reports 6 (1), 24659, 2016462016