Semi-empirical energies with XTB method of molecules
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下载链接：
https://figshare.com/articles/dataset/Semi-empirical_energies_with_XTB_method_of_molecules/20940712
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资源简介：
This dataset contains the log files from single-point energy calculations using XTB. 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
