Quinone based SMILES and molecular descriptors values for solvation energy and redox potential
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https://figshare.com/articles/dataset/Quinone_based_SMILES_and_molecular_descriptors_values_for_solvation_energy_and_redox_potential/29602217
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Property values values from [1], and descriptors calulated with mordred<br>Er, S.; Suh, C.; Marshak, M. P.; Aspuru-Guzik, A. Computational Design of Molecules for an All-Quinone Redox Flow Battery. <i>Chem. Sci.</i> 2015, <i>6</i> (2), 885– 893, DOI: 10.1039/C4SC03030C
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figshare
创建时间：
2025-07-19
