Skip to main content
. 2020 Nov 9;60(12):6135–6146. doi: 10.1021/acs.jcim.0c01041

Figure 7.

Figure 7

Pairwise correlations colored by the periodic table group; α vs μ (J), LUMO vs HOMO energies (K), HOMO/LUMO gap vs qM (L), and α vs qM (M). Level of theory: TPSSh-D3BJ/def2-SVP, except GFN2-xTB for α.