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. Author manuscript; available in PMC: 2018 Feb 12.
Published in final edited form as: J Chem Phys. 2016 Apr 14;144(14):144308. doi: 10.1063/1.4945745

Figure 2.

Figure 2

Energy diagram showing the energies (in kcal mol−1) and structures of the reactants and products corresponding to the third step of Route 1 (Fig. 1), i.e., the methylation of uracil 3 towards the formation of thymine 6. The formation of uracil from the double oxidation of pyrimidine has been studied in detail in a previous work.31