Partial charges for transition state (LIB).
收藏Figshare2022-03-10 更新2026-04-28 收录
下载链接：
https://figshare.com/articles/dataset/Partial_charges_for_transition_state_LIB_/19338427
下载链接
链接失效反馈官方服务：
资源简介：
This file links the atom names (PDB) to the atom types (FRCMOD) while also providing the partial charges of each atom. The LIB file also provides a connectivity table for the atoms in the transition state which preserves the needed TS geometry. (LIB)
创建时间：
2022-03-10
