Browsing by Author "Ndambuki, Sylvester Wambua"
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Item Open Access A Computational Analysis of Supported and Unsupported Group 6 Transition Metal-Metal Bonds Based on the Natural Orbitals for Chemical Valence (NOCV) and the Extended Transition State (ETS) Techniques(2013-02-14) Ndambuki, Sylvester Wambua; Ziegler, TomA computational study has been carried out on the nature of the metal-metal bond of group 6 transition metal complexes based on the extended transition state (ETS) and natural orbitals for chemical valence (NOCV) methods. The analysis of the unsupported triple (M2L6) and quadruple (M2L2L´2; M=Cr,Mo,W; L,L´=π-acceptor/σ-donor ligands) metal-metal bonds demonstrated that the M-M bond strength follows the trend Cr<