λMAX (nm), EMAX (eV), f of electronic transitions of L2F (n→π*) and its complexes and PdL2F (n→d) calculated using B3LYP, PBE0, CAM-B3LYP and PBE0 hybrid functional in gas, IEF-PCM and SS-PCM.

Figshare2020-04-14 更新2026-04-28 收录

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https://figshare.com/articles/dataset/_sub_MAX_sub_nm_E_sub_MAX_sub_eV_i_f_i_of_electronic_transitions_of_L2F_n_and_its_complexes_and_PdL2F_n_d_calculated_using_B3LYP_PBE0_CAM-B3LYP_and_PBE0_hybrid_functional_in_gas_IEF-PCM_and_SS-PCM_/12124812

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λMAX (nm), EMAX (eV), f of electronic transitions of L2F (n→π*) and its complexes and PdL2F (n→d) calculated using B3LYP, PBE0, CAM-B3LYP and PBE0 hybrid functional in gas, IEF-PCM and SS-PCM.

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2020-04-14