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Figure 13
The energy frameworks calculated for (I)[link] showing the (a) electrostatic potential force, (b) dispersion force and (c) total energy; the equivalent diagrams for (II)[link] are shown in (d)–(f). The energy frameworks were adjusted to the same to same scale factor of 30 with a cut-off value of 3 kJ mol−1 within 2 × 2 × 2 unit cells.

ISSN: 2056-9890
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