Supplemental Material
收藏DataCite Commons2026-02-09 更新2026-03-28 收录
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https://aip.figshare.com/articles/dataset/Supplemental_Material/31095670/1
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资源简介：
The supplementary material includes the list of 165 cyclic and 42 acyclic functional groups used for constructing the functional group library, a detailed example demonstrating the algorithm's small‑fragment merging process, and the Cartesian coordinates of all calculated systems.
提供机构：
AIP Publishing
创建时间：
2026-02-09
