OD9 dataset part 27/28
收藏DataCite Commons2020-10-20 更新2024-07-28 收录
下载链接：
https://figshare.com/articles/dataset/OD9_dataset_part_27_28/13110668
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资源简介：
435 032 nwchem logfiles calculated thanks to the quchempedia BOINC project.DFT calculations (B3LYP / 321G)The first 184 158 molecules corresond to the recalculation of QM9 and PC9. The others are newly generated molecules with the EvoMol software.Beware the concaneted tar file is 141GB of compressed files.<br>
提供机构：
figshare
创建时间：
2020-10-20
