DFT energies with DZP basis of the molecules
收藏Figshare2022-09-08 更新2026-04-28 收录
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https://figshare.com/articles/dataset/DFT_energies_with_DZP_basis_of_the_molecules/20099135
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资源简介：
This dataset contains the log files from single-point energy calculations using DFT/TZP method using SCM. The zip file is compressed. This item is part of the collection MultiXC-QM9 with DOI: 10.11583/DTU.c.6185986
创建时间：
2022-09-08
