Partial charges for transition state (LIB).
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https://figshare.com/articles/dataset/Partial_charges_for_transition_state_LIB_/19338427
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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
