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Theoretical calculations were performed on the dissociation of radical anions of 5-fluorouracils substituted at N1. The reaction (1-CR1R2R3-5-fluorouracil)−→(5-fluorouracil)−+R1R2R3C was calculated for several substituents R, including the N1–C5 dimers 1. Two main types of radical anions were observed. Radical anions of π type have the unpaired spin density located at the carbonyl and C–C double bond...
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