xyz files of the QM9 molecules
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下载链接：
https://data.dtu.dk/articles/dataset/xyz_files_of_the_QM9_molecules/19780570/1
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资源简介：
This zipped file contains the coordinates of the QM9_G4MP2 molecules as xyz files. This are optimized in B3LYP/6-31G(2df,p) level of theory. 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：
2022-09-06
