Clusters: Structure, Bonding and Reactivity - Softcover
Book 17 of 25: Challenges and Advances in Computational Chemistry and Physics
Synopsis
Overview new experimental methodologies for characterizing structures, spectroscopic and thermodynamic properties of clusters.- These include the dual-laser mass, infrared (RI-MPD), photoelectron, magnetic .. spectrometries.- Theoretical approaches including the group theory for electronic structure, graph theory for topology, theory of magnetism
.- The current status and extensions of the electron shell models (phenomenological, jellium... models) in the interpretation of electronic structure of doped clusters.- Successful applications of computational quantum chemical methods in the determination of geometrical and electronic structures, thermochemical and spectroscopic parameters, and rationalization of bonding phenomenon.- Presented for different classes of binary clusters including: 1) Lithium, 2) Boron, in particular the boron buckball B80, 3) Aluminum, 4) Carbon, 5) Silicon, 6) Gemanium, 7) Nitrogen, 8) Phosphorus, 8) Copper, 9) Silver and 10) Gold.
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