Data Set for the Journal Article "Autonomous Reaction Network Exploration in Homogeneous and Heterogeneous Catalysis"
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下载链接：
https://zenodo.org/record/6340466
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资源简介：
This dataset includes the XYZ structures of the centroids of all compounds found. Charge and multiplicity are given in the comment line of each XYZ file.
创建时间：
2022-07-01
