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Figure 10
The energy frameworks for a cluster of molecules of (I) viewed down the b axis, showing (a) electrostatic energy, (b) dispersion energy and (c) total energy diagrams. The cylindrical radius is proportional to the relative strength of the corresponding energies and they were adjusted to the same scale factor of 80 with cut-off value of 5 kJ mol-1 within 2×2×2 unit cells. |