Research output per year
Research output per year
Description
Positively charged monolayer-protected gold nanoparticles (AuNPs) structure and topology files for GROMACS used in DOI: 10.1021/jp301094m. The final structure of the simulation reported in DOI: 10.1021/jp301094m for the neutral case is provided.
The gold nanoparticle contain a core of 144 Au atoms and 60 functionalized alkanethiol side groups (undecanyl chain, R = C11H22), each possessing a positively charged amonium terminal group.
The gold nanoparticle contain a core of 144 Au atoms and 60 functionalized alkanethiol side groups (undecanyl chain, R = C11H22), each possessing a positively charged amonium terminal group.
| Date made available | 2017 |
|---|---|
| Publisher | Tampere University of Technology |
Research output
- 1 Article
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Atomistic Simulations of Functional Au-144(SR)(60) Gold Nanoparticles in Aqueous Environment
Heikkilä, E., Gurtovenko, A., Martinez-Seara, H., Häkkinen, H., Vattulainen, I. & Akola, J., 2012, In: Journal of Physical Chemistry C. 116, p. 9805-9815Research output: Contribution to journal › Article › Scientific › peer-review
70 Citations (Scopus)