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Influence of methylamine on the formation of Cd–Cd dimers. (A) Structure of the NC when a Cl0 is replaced by a methylamine ligand (this is isoelectric to removing a chloride and injecting one extra electron into the NC). (B) Contour plot of the HOMO level of the NC, using a contour plot value of 0.02 e/bohr3, indicating that the electron is delocalized over the NC. (C) DOS of the NC, showing a clean bandgap and one electron in the CB.
