Negative orbital (au) of the HOMO (-EHOMO) and LUMO energies (-ELUMO), HOMO–LUMO band gap energies that were calculated by PCM//DFT-DFT/B3LYP/6-31+G(d,p) using the PCM model (solvent–DMSO) and the theoretical excited energies (Eg) for dyes.
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https://figshare.com/articles/dataset/_Negative_orbital_au_of_the_HOMO_E_HOMO_and_LUMO_energies_E_LUMO_HOMO_8211_LUMO_band_gap_energies_that_were_calculated_by_PCM_DFT_DFT_B3LYP_6_31_G_d_p_using_the_PCM_model_solvent_8211_DMSO_and_the_theoretical_excited_energies_E_g_for_dyes_/1465436
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Negative orbital (au) of the HOMO (-EHOMO) and LUMO energies (-ELUMO), HOMO–LUMO band gap energies that were calculated by PCM//DFT-DFT/B3LYP/6-31+G(d,p) using the PCM model (solvent–DMSO) and the theoretical excited energies (Eg) for dyes.
创建时间：
2015-12-03
