Figure 12
Energetic properties at BCPs from MEM (filled symbols) and prior (open symbols) densities depending on the bond length d(X—Y) or distance d(H⋯O). Covalent bonds C—O, C—N, C—C (blue squares) are distinguished from covalent C—H and N—H, and hydrogen bonds (red circles). (a) Kinetic energy density G(BCP), (b) potential energy density V(BCP) and (c) total energy density H(BCP). Lines represent fits to the values for hydrogen bonds from MEM (solid lines) and prior (dashed lines) densities, as taken from Fig. 8. |