DFT energies with SZ basis of the molecules
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https://figshare.com/articles/dataset/DFT_energies_with_SZ_basis_of_the_molecules/20099114
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资源简介：
The energy values of the QM9 molecules with the 76 XC functionals with SZ dataset.
This item is part of the collection MultiXC-QM9 with DOI: 10.11583/DTU.c.6185986
创建时间：
2022-09-08
