Input and selected output files for simulations of sunset yellow dimers
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
| Main Authors: | , , |
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| Format: | Other |
| Language: | English |
| Published: |
2014
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| Subjects: | |
| Online Access: | https://researchdata.ands.org.au/input-and-selected-output-files-for-simulations-of-sunset-yellow-dimers http://hdl.handle.net/20.500.11937/44762 |
| _version_ | 1848757094311788544 |
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| author | Carter, Damien Raiteri, Paolo Rohl, Andrew |
| author_facet | Carter, Damien Raiteri, Paolo Rohl, Andrew |
| author_sort | Carter, Damien |
| building | Curtin Institutional Repository |
| collection | Online Access |
| description | 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 |
| first_indexed | 2025-11-14T09:22:38Z |
| format | Other |
| id | curtin-20.500.11937-44762 |
| institution | Curtin University Malaysia |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-14T09:22:38Z |
| publishDate | 2014 |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | curtin-20.500.11937-447622019-02-19T05:35:12Z Input and selected output files for simulations of sunset yellow dimers Carter, Damien Raiteri, Paolo Rohl, Andrew Theoretical and Computational Chemistry 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 2014 Other http://hdl.handle.net/20.500.11937/44762 en https://researchdata.ands.org.au/input-and-selected-output-files-for-simulations-of-sunset-yellow-dimers fulltext |
| spellingShingle | Theoretical and Computational Chemistry Carter, Damien Raiteri, Paolo Rohl, Andrew Input and selected output files for simulations of sunset yellow dimers |
| title | Input and selected output files for simulations of sunset yellow dimers |
| title_full | Input and selected output files for simulations of sunset yellow dimers |
| title_fullStr | Input and selected output files for simulations of sunset yellow dimers |
| title_full_unstemmed | Input and selected output files for simulations of sunset yellow dimers |
| title_short | Input and selected output files for simulations of sunset yellow dimers |
| title_sort | input and selected output files for simulations of sunset yellow dimers |
| topic | Theoretical and Computational Chemistry |
| url | https://researchdata.ands.org.au/input-and-selected-output-files-for-simulations-of-sunset-yellow-dimers http://hdl.handle.net/20.500.11937/44762 |