Input and selected output files for simulations of sunset yellow dimers
Access Status
Open access
Authors
Carter, Damien
Raiteri, Paolo
Rohl, Andrew
Date
2014Type
Other
Metadata
Show full item recordAbstract
Key input files for SIESTA, GULP and LAMMPS simulations of the structures and dynamics of sunset yellow (disodium 6-hydroxy–5-[(4-sulfophenyl)azo]–2-naphthalenesulfonate) dimers, along with selected output files
Citation
Carter, D.J. and Raiteri, P. and Rohl, A.L. 2014. Input and selected output files for simulations of sunset yellow dimers [Data sets]. doi: 10.4225/06/4ED6B979EBGE6
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Remarks
The data sets are published under the Open Access publishing model and distributed under the terms of the Creative Commons Attribution License http://creativecommons.org/licenses/by/3.0/au/deed.en. Please refer to the licence to obtain terms for any further reuse or distribution of this work.