Figure 4
Heat maps of (a) the potential acting on an electron in a molecule φem(r) and (b) the magnitude of the force acting on an electron in a molecule , distributed over the inner-crystal atomic ρ-basins of 1,3-bis(2-hydroxyethyl)-6-methyluracil. BCPs for the hydrogen bonds and the associated bond paths are shown as magenta spheres and thin lines. Three neighboring molecules of the cluster are also shown. The data are derived from the experimental charge density. |