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Bonding and Electronic Structure Analyses of Homoleptic 18-Electron Sandwich Complexes of Fe and Cr with Peristylane-like Cages and Their Aza and Oxa Analogues

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A comprehensive computational investigation of bonding, electronic structure, and stability of homoleptic 18-electron sandwich complexes of iron (Fe) and chromium (Cr) with [5]- and [6]-peristylanes, and their aza- and oxo-substituted derivatives, is carried o... ...