Structure, Properties, and Reactivity of Polyoxocationic Zirconium and Hafnium Clusters: A Computational Investigation.
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DOI: 10.1021/acs.inorgchem.2c04142
Abstract: Tetravalent zirconium and hafnium molecular metal oxides clusters are key building blocks of many metal-organic frameworks; however, the chemical space to form all possible MOF nodes is vast, containing many potential new clusters. Our computational… read more here.
Keywords: zirconium hafnium; clusters computational; zirconium; structure properties ... See more keywords