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Geometry optimization, energetics, electronic structure, and topology of electron density of dicopper (I) and dichromium (II) tetrakis(μ‐acetato)‐diaqua complexes are studied focusing on the metal–metal interactions. The performance of broken symmetry (BS) single‐determinant ab initio (Hartree–Fock, Møller–Plesset perturbation theory to the second and third orders, coupled clusters singles and doubles)...
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