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. Author manuscript; available in PMC: 2013 May 12.
Published in final edited form as: J Am Chem Soc. 2008 Oct 8;130(44):10.1021/ja801202j. doi: 10.1021/ja801202j

Figure 4.

Figure 4

Energy change of the decarboxylation of 1-methyl orotate in gas phase computed with various methods and basis sets. The methods used include: B3LYP/3-21+G* (black line); B3LYP/3-21+G*/BSSE (black cross); B3LYP/6-31+G* (red line); B3LYP/6-31+G*/BSSE (red cross); B3LYP/6-311+G* (blue line); B3LYP/6-311+G*/BSSE (blue cross); B3LYP/aug-cc-pvtz (cyan line); B3LYP/aug-cc-pvqz (yellow line); HF/6-31+G* (violet line); MP2/6-311+G* (magenta diamond); MP2/aug-cc-pvtz (green diamond).