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Molecular dynamics studies of the size, shape, and internal structure of 0% and 90%-acetylated G5 PAMAM dendrimers in water and methanol

We have performed molecular dynamics simulations of 0% and 90%-acetylated G5 PAMAM dendrimers in water and methanol and obtained radii of gyration of 2.51~2.57nm and 2.11~2.33nm, respectively, similar to those measured experimentally in methanol by Prosa et al. (J. Polymer. Sci. 35, 2913–2924) and i...

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Detalhes bibliográficos
Main Authors: Lee, Hwankyu, Baker, James R., Larson, Ronald G.
Formato: Artigo
Idioma:Inglês
Publicado em: 2006
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2559946/
https://ncbi.nlm.nih.gov/pubmed/16509691
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp056148s
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