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

Bibliographic Details
Main Authors: Carter, Damien, Raiteri, Paolo, Rohl, Andrew
Format: Other
Language:English
Published: 2014
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