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TIFF Image - 384.3 KB - MD5: 8e01fe235718fba15c263c623d675ed5
TIFF Image - 384.3 KB - MD5: 6fcea5acaf0b2119dd562f48bb9c15de
TIFF Image - 384.3 KB - MD5: e9fc73f8364b6650b95f9d8da8efaf98
TIFF Image - 384.3 KB - MD5: 4262cb8a845a89b0a92a7e0648f11528
TIFF Image - 384.3 KB - MD5: 819edd1594eded12c3c8eef63db97d6e
Nov 1, 2021
Matveeva, Regina; Falck Erichsen, Merete; Koch, Henrik; Høyvik, Ida-Marie, 2021, "The effect of midbond functions on interaction energies computed using MP2 and CCSD(T)", https://doi.org/10.18710/2FWECY, DataverseNO, V1
This data set contains contains raw data (monomer and dimer energy contributions for the A24 data set; interaction energies for the A24 and S66 data sets; number of basis functions for 53 complexes of the S66 data set) as well as geometries of A24 and S66 complexes including midbond centers (denoted X). The MP2 and CCSD(T) calculations for the A24...
Co-Ordinate Animation - 265 B - MD5: aac264edf977fcd4cae7b37c3c5f6ee6
Co-Ordinate Animation - 317 B - MD5: 534c4342df12996434c56420223f639c
Co-Ordinate Animation - 300 B - MD5: ca00df2e577e51bfd1312b820a2aa20a
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