Interatomic forces breaking carbon-carbon bonds

Collection of raw data, molecular geometry and script files for LAMMPS, Gaussian, GULP and DTFB used to generate the data. Includes a README.TXT

Alternative title	Carbon_D202003746
Creator(s)	Matthew Tolladay, Fabrizio Scarpa, Neil Allan
Publication date	19 Jan 2021
Language	eng
Publisher	University of Bristol
Licence	Non-Commercial Government Licence for public sector information
DOI	10.5523/bris.1ycz4js3rgnzk2dxw07im4dat3
Citation	Matthew Tolladay, Fabrizio Scarpa, Neil Allan (2021): Interatomic forces breaking carbon-carbon bonds. https://doi.org/10.5523/bris.1ycz4js3rgnzk2dxw07im4dat3
Total size	276.6 MiB