New version of the theoretical databank of transferable aspherical pseudoatoms, UBDB2011 – towards nucleic acid modelling

Jarzembska, K.N.; Dominiak, P.M.

doi:10.1107/S0108767311042176

Figure 5
Correlation between SPDFG/B3LYP/6-31G** E_es 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 E_1,es = E_2,es diagonal.