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Density Function Theory (DFT) calculation
(A) Electrostatic potentials of Dy(III) and nido-[C2B9H11]2- ((isovalue = 0.001)).
(B and C) Bonding energy between fragments for 2Dy (B) and 6Dy's (C) model complexes through DFT calculation. For clarity, certain hydrogen atoms in both complexes are omitted. (cyan for Dy, pink for B, gray for C, green for Cl, purple for Na and white for H).
