The nature of the transition metal-carbonyl bond and the question about the valence orbitals of transition metals. A bond-energy decomposition analysis of TM(CO)6(q) (TM(q) = Hf2-, Ta-, W, Re+, Os2+, Ir3+)

Axel Diefenbach, F. Matthias Bickelhaupt, Gernot Frenking

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Chemistry