Figure 3.
Total spin density plot of thymine (T)–6H2O•−. The structure is optimized to a local minimum using the B3LYP-PCM/6-31++G** method. Reprinted with permission from reference [72]. Copyright, 2016, American Chemical Society.
Total spin density plot of thymine (T)–6H2O•−. The structure is optimized to a local minimum using the B3LYP-PCM/6-31++G** method. Reprinted with permission from reference [72]. Copyright, 2016, American Chemical Society.