Figure 2
Differences in properties at the BCPs between THEOR and different models of refinement: (a) electron density (e Å−3); (b) Laplacian of electron density (e Å−5). The averaged standard deviations of ρ(BCP) and |ρ(BCP)| are 0.015 and 0.1 for X—X bonds, and 0.05 and 0.3 for X—H bonds, respectively. |