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. 2022 Sep 12;23(18):10576. doi: 10.3390/ijms231810576

Figure 1.

Figure 1

Correlation of the experimental against calculated GB values for a set of nitrogen bases (blues circles) and selected phosphines (orange triangles). All GBcalc were calculated using the MP2(fc)/6-311+G(2df,p)//B3LYP/6-31G(d) approach (M6 model).