Tuesday, 24 May 2005

This presentation is part of: NanoScience and Technology Posters

Simulations of Thiol Terminated Dendrimers

Shyam Vyas, Accelrys Inc, Morristown, NJ

Dendrimers are a novel class of polymers that have proved important for a range of nanotechnology applications. One such dendrimer is a thiol terminated fourth generation dendrimer, G4-SH, which has been used a template for the production of gold nanoparticles [1]. As an initial first step to understanding this process at a theoretical level we perform molecular dynamics calculations of the isolated dendrimer and present the results of these calculations. These include the free volume, radius of gyration as well as other geometric properties.

1. G. Schmid, W Meyer-Zaaika, R. Pugin, T. Sawitowski, J-P. majoral, A-M Caminade & C-O Turrin. Chem. Eur. J., 2000 Vol 6[9] 1693 “Naked Au55 Clusters: Dramatic Effect of a Thiol Terminated Dendrimer”

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