TD-DFT predictions for various protonation forms of the SAL-3 molecule in a solvent (water) treated as per the PCM approach.
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https://figshare.com/articles/dataset/TD-DFT_predictions_for_various_protonation_forms_of_the_SAL-3_molecule_in_a_solvent_water_treated_as_per_the_PCM_approach_/11899332
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资源简介：
Energetics given in a nm scale, dimensionless oscillatory strengths given in parentheses. Low-lying absorbing states shown as well as the lowest excited state for emission.
创建时间：
2020-02-25
