coordinates.zip
收藏Figshare2017-06-06 更新2026-04-08 收录
下载链接：
https://figshare.com/articles/dataset/coordinates_zip/5082715/1
下载链接
链接失效反馈官方服务：
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>
创建时间：
2017-06-06
