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Local Density Models for Bare and Ligated Transition Metal Clusters

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Physics and Chemistry of Small Clusters

Abstract

Transition metals exhibit interesting and technically useful chemical interactions both among themselves and with other atoms. Their high strength and corrosion resistance makes them essential structural materials, and their chemical reactivity and selectivity give them a central role as catalytic promoters of reactions. These special properties are popularly associated with the presence of a semilocalized, partially occupied nd electronic configuration. However, the nature of the metal-metal bond, and the precise character of electronic interactions associated with cohesion and bonding in the transition metals (TM) has not yet been fully elucidated. In particular, the properties of TM surfaces and small particles (which are essentially all surface) are at present very poorly understood. There are, of course, large scale experimental and theoretical efforts underway to understand and control electronic properties of these materials.

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© 1987 Plenum Press, New York

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Ellis, D.E., Cheng, H.P., Holland, G.F. (1987). Local Density Models for Bare and Ligated Transition Metal Clusters. In: Jena, P., Rao, B.K., Khanna, S.N. (eds) Physics and Chemistry of Small Clusters. Springer, Boston, MA. https://doi.org/10.1007/978-1-4757-0357-3_117

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  • DOI: https://doi.org/10.1007/978-1-4757-0357-3_117

  • Publisher Name: Springer, Boston, MA

  • Print ISBN: 978-1-4757-0359-7

  • Online ISBN: 978-1-4757-0357-3

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