Počet záznamů: 1

Microscopic Density Functional Theory for Dendrimers

  1. 1.
    0355053 - UCHP-M 2011 RIV US eng J - Článek v odborném periodiku
    Malijevský, Alexandr
    Microscopic Density Functional Theory for Dendrimers.
    Physical Review. E. Roč. 80, č. 4 (2009), 042801-1-4 ISSN 1539-3755
    Grant ostatní: EPSRC(GB) EP/E016340
    Výzkumný záměr: CEZ:AV0Z40720504
    Klíčová slova: density functional theory * intermolecular forces * perturbation theory
    Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
    Impakt faktor: 2.400, rok: 2009

    Density functional theory for a simple model of dendrimers is proposed. The theory is based on fundamental measure theory, which accounts for the hard-sphere repulsion of the segments and on the Wertheim first-order perturbation theory for the correlations due to connectivity. Set of the recurrence formulas for the ideal chain contribution involving simple integrals is derived. By using perturbation theory dispersion forces can be easily included.
    Trvalý link: http://hdl.handle.net/11104/0193903