Using collective knowledge to assign oxidation states of metal cations in metal–organic frameworks
Kevin Maik Jablonka, Daniele Ongari, Seyed Mohamad Moosavi, Berend Smit
Topics & Concepts
ProtonationChemistryOxidation stateMetalMetal ions in aqueous solutionMetal-organic frameworkComputational chemistryIonOrganic chemistryAdsorptionMachine Learning in Materials ScienceMetal-Organic Frameworks: Synthesis and ApplicationsComputational Drug Discovery Methods