Conceptual DFT indices calculation of anthocyanidins; HOMO & LUMO energy, chemical hardness (η), chemical softness (S), electronegativity (χ), electrophilicity (ω), and nucleophilicity index (N).
收藏Figshare2023-07-19 更新2026-04-28 收录
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https://figshare.com/articles/dataset/Conceptual_DFT_indices_calculation_of_anthocyanidins_HOMO_LUMO_energy_chemical_hardness_chemical_softness_S_electronegativity_electrophilicity_and_nucleophilicity_index_N_/23712533
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资源简介：
Conceptual DFT indices calculation of anthocyanidins; HOMO & LUMO energy, chemical hardness (η), chemical softness (S), electronegativity (χ), electrophilicity (ω), and nucleophilicity index (N).
创建时间：
2023-07-19
