Datasets for X-MACE Publication
收藏Figshare2025-02-16 更新2026-04-08 收录
下载链接：
https://figshare.com/articles/dataset/Datasets_for_X-MACE_Publication/28425173/1
下载链接
链接失效反馈官方服务：
资源简介：
Datasets for publication: Chromophores dataset contains the 5 singlet states with energies and forces, the fulvene dataset contains 2 singlet states with energies and the ch2nh2_ciopt dataset contains energies and forces for the methylammonium cation enhanced with optimized conical intersections
提供机构：
Barrett, Rhyan
创建时间：
2025-02-16
