autoCG_output
收藏Figshare2024-09-30 更新2026-04-08 收录
下载链接：
https://figshare.com/articles/dataset/autoCG_output/27132603/1
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资源简介：
This dataset contains generated reaction conformations and raw output for TS structure calculations for the Birkholz and Schlegel set, Intra-Diels Alder reaction, and the high-molecularity elementary reactions discovered by Nanoreactor.
提供机构：
Lee, Kyunghoon
创建时间：
2024-09-30
