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Using collective knowledge to assign oxidation states of metal cations in metal–organic frameworks

Kevin Maik Jablonka, Daniele Ongari, Seyed Mohamad Moosavi, Berend Smit

2021Nature Chemistry91 citationsDOIOpen Access PDF

Topics & Concepts

ProtonationChemistryOxidation stateMetalMetal ions in aqueous solutionMetal-organic frameworkComputational chemistryIonOrganic chemistryAdsorptionMachine Learning in Materials ScienceMetal-Organic Frameworks: Synthesis and ApplicationsComputational Drug Discovery Methods
Using collective knowledge to assign oxidation states of metal cations in metal–organic frameworks | Litcius