Figure 4
(a) Graphical representation of the VSCCs around the P atom with numbering scheme. The values of ∇2ρ are: v1 = −14.04, v2 = −8.30, v3 = −3.32, v4 = −1.12, v5 = −0.41 e Å−5; (b) isosurface of negative Laplacian in VSCC of the P atom at −0.5 e Å−5 isolevel; program used for vizualization is Moliso (Hübschle & Luger, 2006). |