Determination of pKa Values via ab initio Molecular Dynamics and its Application to Transition Metal-Based Water Oxidation Catalysts

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Determination of pKa Values via ab initio Molecular Dynamics and its Application to Transition Metal-Based Water Oxidation Catalysts

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pdf

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Mauro Schilling

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Determination of pKa Values via ab initio Molecular Dynamics and its Application to Transition Metal-Based Water Oxidation Catalysts

(MDPI AG, 2019) Mauro Schilling; Sandra Luber

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https://tustorage.ulb.tu-darmstadt.de/handle/tustorage/6075

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