TBD
收藏NIAID Data Ecosystem2026-03-13 收录
下载链接：
https://zenodo.org/record/4836455
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资源简介：
This folder /final_xyz_structures/ contains the DFT-optimized geometries (in .xyz format together with the gas-phase energy, E) accompanying the paper
"Paper Title"
Where conformers occur, they are always named from the lowest Gibbs energy to the highest in ascending order from c1, c2, ...
创建时间：
2021-10-12
