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Figure 5
Energy framework of (I)[link] as viewed down along the b axis, showing the energy framework comprising (a) electrostatic potential force, (b) dispersion force and (c) total energy. The cylindrical radii are proportional to the relative strength of the respective energies and they were scaled by a factor of 80 with a cut-off energy value of 5 kJ mol−1 within 4 × 4 × 4 unit cells.

Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890
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