bde-db2.csv.gz
收藏Figshare2022-03-16 更新2026-04-08 收录
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https://figshare.com/articles/dataset/bde-db2_csv_gz/19367051/1
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资源简介：
This dataset contains bond dissociation energies for 65540 molecules which represent a set of 531244 unique BDEs (enthalpies and free energies). This dataset is broken down into molecule, bond index, fragments and BDEs.
提供机构：
Santhanalakkshmi Vejaykummar, Shree Sowndarya; Kim, Yeonjoon; Paton, Robert; St. John, Peter; Kim, Seonah
创建时间：
2022-03-16
