Figure 6
Energy densities at BCPs of hydrogen bonds of Asp52. (a) Kinetic energy density G(BCP), (b) potential energy density V(BCP), (c) total energy density H(BCP) = G(BCP) + V(BCP) and (d) the ratio |V(BCP)|/G(BCP). Black squares, values from ρdynMP(r); red circles, values from ρdynIAM(r); green triangles, values from ρstatMP(r); blue diamonds, values from ρstatIAM(r). |