Energetical, electron-topological and geometrical characteristics of the intramolecular specific contacts–H-bonds and attractive van der Waals (vdW) contacts, polar and geometrical parameters of the investigated structures of the isolated quercetin molecule obtained at the B3LYP/6-311++G(d,p) level of QM theory (see also Fig 1).
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https://figshare.com/articles/dataset/Energetical_electron-topological_and_geometrical_characteristics_of_the_intramolecular_specific_contacts_H-bonds_and_attractive_van_der_Waals_vdW_contacts_polar_and_geometrical_parameters_of_the_investigated_structures_of_the_isolated_querc/10692311
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资源简介:
Energetical, electron-topological and geometrical characteristics of the intramolecular specific contacts–H-bonds and attractive van der Waals (vdW) contacts, polar and geometrical parameters of the investigated structures of the isolated quercetin molecule obtained at the B3LYP/6-311++G(d,p) level of QM theory (see also Fig 1).
创建时间:
2019-11-21



