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  • 1
    Electronic Resource
    Electronic Resource
    The European physical journal 6 (1999), S. 243-254 
    ISSN: 1434-6079
    Keywords: PACS. 36.40.-c Atomic and molecular clusters
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract: Characteristic properties as well as possible differences in bonding of small group 12 clusters ( , Cd, Hg; ) have been investigated by quantum chemical ab initio methods, i.e., relativistic large-core pseudopotentials, core-polarization potentials and coupled-cluster correlation treatments. A comparison of cohesive energies and spectroscopic properties like ionization potentials, electron affinities, and vibrational frequencies reveals a close similarity between the clusters of Cd and Hg. For Zn clusters we observed an exceptional increase in stability between and . In order to get a more qualitative picture of the covalent contributions to bonding we have calculated the electron localization function (ELF). The ELF analysis is in accordance with the calculated spectroscopic properties and shows predominant van der Waals interactions with weak covalent contributions for all the cluster sizes considered.
    Type of Medium: Electronic Resource
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