DFT-derived global electronic descriptors (HOMO–LUMO energies, energy gap, hardness, softness, chemical potential and electrophilicity index) for I3OG and the co-crystallized reference ligands Co-3E6T and Co-3E7G in the gas phase.
收藏Figshare2025-12-19 更新2026-04-28 收录
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https://figshare.com/articles/dataset/_p_DFT-derived_global_electronic_descriptors_HOMO_LUMO_energies_energy_gap_hardness_softness_chemical_potential_and_electrophilicity_index_for_I3OG_and_the_co-crystallized_reference_ligands_Co-3E6T_and_Co-3E7G_in_the_gas_phase_p_/30922847
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资源简介：
DFT-derived global electronic descriptors (HOMO–LUMO energies, energy gap, hardness, softness, chemical potential and electrophilicity index) for I3OG and the co-crystallized reference ligands Co-3E6T and Co-3E7G in the gas phase.
创建时间：
2025-12-19
