Počet záznamů: 1

Bond Indices in Solids: Extended Analytical Model

  1. 1.
    0363294 - UCHP-M 2012 RIV US eng J - Článek v odborném periodiku
    Ponec, Robert
    Bond Indices in Solids: Extended Analytical Model.
    Journal of Computational Chemistry. Roč. 32, č. 14 (2011), s. 3114-3121 ISSN 0192-8651
    Grant CEP: GA ČR GA203/09/0118
    Výzkumný záměr: CEZ:AV0Z4072921
    Klíčová slova: bonding in solids * metallic bond * bond indices
    Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
    Impakt faktor: 4.583, rok: 2011

    The analytical model suggested some time ago for the calculation of bond indices in infinite periodical structures was reconsidered and extended so as to provide not only realistic estimate of the extent of electron sharing localized among individual pairs of the atoms in the lattice but also to detect the eventual presence of multicenter bonding in metallic solids.
    Trvalý link: http://hdl.handle.net/11104/0199275