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Figure 6
The colour inter­action mapping and energy frameworks for (I)[link] showing the (a) electrostatic potential force, (b) dispersion force and (c) total energy diagrams. All cylindrical radii were adjusted to the same scale factor of 100 with a cut-off value of −50.0 kJ mol−1 within a 3 × 3 × 3 unit cell and their sizes are proportional to the relative strength of the corresponding energies.

ISSN: 2056-9890
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