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.
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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
