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Interatomic forces breaking carbon-carbon bonds

    Dataset

    Description

    Collection of raw data, molecular geometry and script files for LAMMPS, Gaussian, GULP and DTFB used to generate the data. Includes a README.TXT
    Date made available6 Jan 2021
    PublisherUniversity of Bristol

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    • 1 Article (Academic Journal)

    • Interatomic forces breaking carbon-carbon bonds

      Tolladay, M. J., Scarpa, F. L. & Allan, N. L., 30 Apr 2021, In: Carbon. 175, p. 420-428 9 p.

      Research output: Contribution to journal › Article (Academic Journal) › peer-review

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      14 Citations (Scopus)
      168 Downloads (Pure)

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