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Figure 6
The energy frameworks viewed down the b-axis direction comprising (a) electrostatic potential forces, (b) dispersion forces and (c) total energy for a cluster about a reference mol­ecule of 3. The energy frameworks were adjusted to the same scale factor of 80 with a cut-off value of 5 kJ mol−1 within 2 × 2 × 2 unit cells.

Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890
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