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

Complete download (zip, 276.6 MiB)

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.
Total size 276.6 MiB


Data Resources