Figure 3
Histograms of DE for the compound C15H23NO2 (Cu Kα radiation) by the random-structure model (105 simulations under assumption B) containing in addition one Cl atom (thick dotted line), two Cl atoms (solid line), or one Cl atom with an occupancy factor 0.5 and one with an occupancy factor 1 (thin dotted line). The abscissa is on an arbitrary scale and is not common to all plots. All plots are normalized to 105. |