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

Mauro SchillingSandra Luber2024-08-152024-08-15https://tustorage.ulb.tu-darmstadt.de/handle/tustorage/6076540Determination of pKa Values via ab initio Molecular Dynamics and its Application to Transition Metal-Based Water Oxidation Catalystssupplierxml