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The structures and stabilities of title clusters have been investigated at CCSD(T) computational level. For the title systems, the geometry with high symmetry is preferred and the n = 2 systems are more stable than its neighbors. For the Cu–Ng interaction, topological analysis of the electron density field, electron localization function, and positive local energy density represent the intermediate...
The structures and stabilities of MRn n+ (n = 1–3, M = Cu, Ag and Au) series at the CCSD(T) theoretical level are performed. The n = 2 systems are more stable than its neighbours. The role of the interaction is investigated using the natural bond orbital analysis, Laplacian, electron localization function and reduced density gradient analysis. The results show the intermediate character in the M–Rn...
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