Semi-empirical energies with XTB method of molecules
收藏DataCite Commons2023-09-29 更新2025-04-10 收录
下载链接：
https://data.dtu.dk/articles/dataset/Semi-empirical_energies_with_XTB_method_of_molecules/20940712/1
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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
提供机构：
Technical University of Denmark
创建时间：
2022-09-08
