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ORCID"Efficient workflow for the investigation of the catalytic cycle of water ..."
Jan Paul Menzel et al. (2021)
- Jan Paul Menzel
, Martijn Kloppenburg, Jelena Belic, Huub J. M. de Groot, Lucas Visscher, Francesco Buda:
Efficient workflow for the investigation of the catalytic cycle of water oxidation catalysts: Combining GFN-xTB and density functional theory. J. Comput. Chem. 42(26): 1885-1894 (2021)
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