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Figure 5
Correlation between SPDFG/B3LYP/6-31G** Ees results and UBDB2011 + EPMM method. Total RMSD = 3.7 kcal mol−1. Solid line represents linear least-squares fit (R2 = 0.99). Dashed–dotted line represents E1,es = E2,es diagonal.

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