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Figure 7
The calculated energy frameworks viewed down the a-axis direction comprising (a) electrostatic potential force, (b) dispersion force and (c) total energy for a cluster about a reference mol­ecule of (I)[link]. The energy frameworks were adjusted to the same scale factor of 50 with a cut-off value of 3 kJ mol−1 within 4 × 4 × 4 unit cells.

ISSN: 2056-9890
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