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Khramenkova, E. (author), Polynskii, M. (author), Vinogradov, Alexandr V. (author), Pidko, E.A. (author)
Stability is the key property of functional materials. In this work we investigate computationally the degradative potential of a model Mn-BTC (BTC = benzene-1,3,5-tricarboxylate) metal–organic framework (MOF) building block in aqueous solutions under oxidative conditions. Model density functional theory calculations have shown that the direct...
journal article 2018