PBE, PBE0, B86bPBE data and relative DNN-MBDQ dispersion corrections for S66x8 and S22 data sets.
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https://zenodo.org/records/7243660
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资源简介：
PBE, PB0 and B86bPBE interaction energy data for the S66x8 and/or S22
data sets as well as their relative DNN-MBDQ dispersion corrections for the different range-separation parameters (β) discussed.
创建时间：
2023-01-31
