Energies and structural differences of dithiobiurea–18-crown-6 complexes identified by the EUDOC program using six local minimum conformations of dithiobiurea.
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https://figshare.com/articles/dataset/_Energies_and_structural_differences_of_dithiobiurea_8211_18_crown_6_complexes_identified_by_the_EUDOC_program_using_six_local_minimum_conformations_of_dithiobiurea_/614224
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资源简介：
1The IDs of dithiobiurea local minimum conformations generated by the normal-mode-analysis–monitored energy minimization.
2Intermolecular interaction energy calculated by the EUDOC program.
3van der Waals component of the intermolecular interaction energy.
4Electrostatic component of the intermolecular interaction energy.
5Mass–weighted root mean square deviation of dithiobiurea relative to that of complex crystal structure AJUXUY.
创建时间：
2015-12-02
