"Efficient workflow for the investigation of the catalytic cycle of water ..."

Jan Paul Menzel et al. (2021)

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DOI: 10.1002/JCC.26721

access: open

type: Journal Article

metadata version: 2022-10-02

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  - https://dblp.org/rec/journals/jcc/MenzelKBGVB21
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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