Počet záznamů: 1
Microscopic Density Functional Theory for Dendrimers
- 1.0355053 - ÚCHP 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
Počet záznamů: 1