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Hybrid-DFT Molecular Dynamics Simulations of Photocatalytic Water Oxidation in a [Ru-bda]–Dye Complex.

Authors :
de Haas, Titus
Calvani, Dario
Zaaruolo, Aegir
de Jong, Tjeerd
Rutgers, Jonas
Kreupeling, Bas
de Groot, Huub J. M.
Buda, Francesco
Source :
Journal of Physical Chemistry C; 11/28/2024, Vol. 128 Issue 47, p20093-20103, 11p
Publication Year :
2024

Details

Language :
English
ISSN :
19327447
Volume :
128
Issue :
47
Database :
Supplemental Index
Journal :
Journal of Physical Chemistry C
Publication Type :
Academic Journal
Accession number :
181228594
Full Text :
https://doi.org/10.1021/acs.jpcc.4c05104