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Activation by oxidation and ligand exchange in a molecular manganese vanadium oxide water oxidation catalyst.
Cárdenas G, Trentin I, Schwiedrzik L, Hernández-Castillo D, Lowe GA, Kund J, Kranz C, Klingler S, Stach R, Mizaikoff B, Marquetand P, Nogueira JJ, Streb C, González L. Cárdenas G, et al. Among authors: nogueira jj. Chem Sci. 2021 Aug 30;12(39):12918-12927. doi: 10.1039/d1sc03239a. eCollection 2021 Oct 13. Chem Sci. 2021. PMID: 34745522 Free PMC article.
MoBioTools: A toolkit to setup quantum mechanics/molecular mechanics calculations.
Cárdenas G, Lucia-Tamudo J, Mateo-delaFuente H, Palmisano VF, Anguita-Ortiz N, Ruano L, Pérez-Barcia Á, Díaz-Tendero S, Mandado M, Nogueira JJ. Cárdenas G, et al. Among authors: nogueira jj. J Comput Chem. 2023 Feb 5;44(4):516-533. doi: 10.1002/jcc.27018. Epub 2022 Dec 12. J Comput Chem. 2023. PMID: 36507763 Free PMC article.
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