Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
115 (2001), S. 5310-5318
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
Molecular dynamics simulations were performed for a series of AB2 dendrimer models, in explicit-solvent solutions where the ratio Rg/L (Rg is the radius of gyration and L the size of the simulation box) is kept between 0.15≤Rg/L≤0.2. Results on static properties (size, shape, density profiles) are in good agreement with recent theoretical and experimental studies. Dynamic properties are systematically investigated on the local and entire molecule length scale. The dynamic characteristics of the examined models capture the qualitative behavior observed experimentally in dendrimer molecules. The systematic and comparative nature of this study affords detailed insight into the origin and the relative contribution of different relaxational mechanisms in the observed dynamic spectra. © 2001 American Institute of Physics.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.1394207
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