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We present a comprehensive study of electronic and magnetic properties of octometallic homo- and heteronuclear chromium-based molecular rings Cr7MF8(O2CH)16 (in short Cr7M, M = Cr, Cd and Ni) by the first-principle density functional theory (DFT) and pseudopotential ideas. Their radii are around 1 nm. For each Cr7M, the antiferromagnetic configuration corresponds to the ground state and the ferromagnetic...
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