coordinates.zip
收藏DataCite Commons2020-09-02 更新2024-07-27 收录
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https://figshare.com/articles/dataset/coordinates_zip/5082715
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资源简介：
Cartesian coordinates used for benchmarking organic reaction energetics and barriers for DFTB models. See paper by Gruden, Cui and Elstner and co-workers in J. Comput. Chem. (2017)<br>
提供机构：
figshare
创建时间：
2017-06-06
