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    Input and selected output files for simulations of sunset yellow dimers

    199416_Input and selected output files for simulations of sunset yellow dimers.zip (898.2Kb)
    Access Status
    Open access
    Authors
    Carter, Damien
    Raiteri, Paolo
    Rohl, Andrew
    Date
    2014
    Type
    Other
    
    Metadata
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    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
    Additional URLs
    https://researchdata.ands.org.au/input-and-selected-output-files-for-simulations-of-sunset-yellow-dimers
    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.

    URI
    http://hdl.handle.net/20.500.11937/44762
    Collection
    • Curtin Research Publications
    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

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