Figure 8
The energy frameworks for (I) viewed along the a axis, showing the (a) electrostatic force, (b) dispersion force and (c) total energy diagram. The cylindrical radius is proportional to the relative strength of the corresponding energies and they were adjusted to the same scale factor of 100 with a cut-off value of 8 kJ mol−1 within a 2 × 2 × 2 unit cells. |