Input and selected output files for simulations of sunset yellow dimers
Abstract
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.