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  1. Sequential metalation of benzene: electronic, bonding, magnetotropic and spectroscopic properties of coinage metalated benzenes studied by DFT

    A series of coinage metalated benzenes formulated as C 6 H 6-n M n (M = Cu, Ag, Au, n = 1–5) were investigated by means of density functional theory (DFT)...

    Athanassios C. Tsipis, Dimitrios N. Gkarbounis in Journal of Molecular Modeling
    Article 23 May 2015
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