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Interatomic forces breaking carbon-carbon bonds/DFTB/pbc/isobutene14/isobuten...
Collection of raw data, molecular geometry and script files for LAMMPS, Gaussian, GULP and DTFB used to generate the data. Includes a README.TXT -
Interatomic forces breaking carbon-carbon bonds/DFTB/3ob/ethane/ethane_95
Collection of raw data, molecular geometry and script files for LAMMPS, Gaussian, GULP and DTFB used to generate the data. Includes a README.TXT -
Interatomic forces breaking carbon-carbon bonds/DFTB/3ob/isobutene14/isobuten...
Collection of raw data, molecular geometry and script files for LAMMPS, Gaussian, GULP and DTFB used to generate the data. Includes a README.TXT -
Interatomic forces breaking carbon-carbon bonds/DFTB/pbc/isobutane/isobutane_100
Collection of raw data, molecular geometry and script files for LAMMPS, Gaussian, GULP and DTFB used to generate the data. Includes a README.TXT -
Interatomic forces breaking carbon-carbon bonds/DFTB/pbc/ethene/ethene_181
Collection of raw data, molecular geometry and script files for LAMMPS, Gaussian, GULP and DTFB used to generate the data. Includes a README.TXT -
Interatomic forces breaking carbon-carbon bonds/DFTB/3ob/isobutane/isobutane_39
Collection of raw data, molecular geometry and script files for LAMMPS, Gaussian, GULP and DTFB used to generate the data. Includes a README.TXT -
Interatomic forces breaking carbon-carbon bonds/DFTB/mio/ethene/ethene_47
Collection of raw data, molecular geometry and script files for LAMMPS, Gaussian, GULP and DTFB used to generate the data. Includes a README.TXT -
Interatomic forces breaking carbon-carbon bonds/DFTB/3ob/butene12/butene12_126
Collection of raw data, molecular geometry and script files for LAMMPS, Gaussian, GULP and DTFB used to generate the data. Includes a README.TXT -
Interatomic forces breaking carbon-carbon bonds/DFTB/pbc/butene12/butene12_81
Collection of raw data, molecular geometry and script files for LAMMPS, Gaussian, GULP and DTFB used to generate the data. Includes a README.TXT -
Interatomic forces breaking carbon-carbon bonds/DFTB/mio/isobutene14/isobuten...
Collection of raw data, molecular geometry and script files for LAMMPS, Gaussian, GULP and DTFB used to generate the data. Includes a README.TXT -
Interatomic forces breaking carbon-carbon bonds/DFTB/3ob/butene12/butene12_195
Collection of raw data, molecular geometry and script files for LAMMPS, Gaussian, GULP and DTFB used to generate the data. Includes a README.TXT -
Interatomic forces breaking carbon-carbon bonds/DFTB/mio/ethene/ethene_110
Collection of raw data, molecular geometry and script files for LAMMPS, Gaussian, GULP and DTFB used to generate the data. Includes a README.TXT -
Interatomic forces breaking carbon-carbon bonds/DFTB/pbc/butane/butane_138
Collection of raw data, molecular geometry and script files for LAMMPS, Gaussian, GULP and DTFB used to generate the data. Includes a README.TXT -
Interatomic forces breaking carbon-carbon bonds/DFTB/pbc/isobutene12/isobuten...
Collection of raw data, molecular geometry and script files for LAMMPS, Gaussian, GULP and DTFB used to generate the data. Includes a README.TXT -
Interatomic forces breaking carbon-carbon bonds/DFTB/3ob/ethene/ethene_106
Collection of raw data, molecular geometry and script files for LAMMPS, Gaussian, GULP and DTFB used to generate the data. Includes a README.TXT -
Interatomic forces breaking carbon-carbon bonds/DFTB/mio/butene23/butene23_124
Collection of raw data, molecular geometry and script files for LAMMPS, Gaussian, GULP and DTFB used to generate the data. Includes a README.TXT -
Interatomic forces breaking carbon-carbon bonds/DFTB/3ob/butane/butane_215
Collection of raw data, molecular geometry and script files for LAMMPS, Gaussian, GULP and DTFB used to generate the data. Includes a README.TXT -
Interatomic forces breaking carbon-carbon bonds/DFTB/pbc/butene12/butene12_210
Collection of raw data, molecular geometry and script files for LAMMPS, Gaussian, GULP and DTFB used to generate the data. Includes a README.TXT -
Interatomic forces breaking carbon-carbon bonds/DFTB/mio/isobutene14/isobuten...
Collection of raw data, molecular geometry and script files for LAMMPS, Gaussian, GULP and DTFB used to generate the data. Includes a README.TXT -
Interatomic forces breaking carbon-carbon bonds/DFTB/pbc/isobutene14/isobuten...
Collection of raw data, molecular geometry and script files for LAMMPS, Gaussian, GULP and DTFB used to generate the data. Includes a README.TXT