The intermolecular interaction energies of the 161 small-molecule complexes generated by the EUDOC program and their mass-weighted root mean square deviations (mwRMSDs) relative to their corresponding crystal structures.
收藏Figshare2015-12-02 更新2026-05-11 收录
下载链接：
https://figshare.com/articles/dataset/_The_intermolecular_interaction_energies_of_the_161_small_molecule_complexes_generated_by_the_EUDOC_program_and_their_mass_weighted_root_mean_square_deviations_mwRMSDs_relative_to_their_corresponding_crystal_structures_/620122
下载链接
链接失效反馈官方服务：
资源简介：
1Cambridge Structural Database code;2Intermolecular interaction energy calculated by the EUDOC program;3The van der Waals component of the intermolecular interaction energy;4The electrostatic component of the intermolecular interaction energy;5The translational increment was set to 0.5 ?.
创建时间：
2015-12-02
