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Figure 11
A comparison of the energy frameworks composed of (a) electrostatic potential force, (b) dispersion force and (c) total energy for cluster about a reference molecule of A and B of (I) , and for (II) . The energy frameworks were adjusted to the same scale factor of 80 with a cut-off value of 2 kJ mol−1 within 4 × 4 × 4 unit cells. |


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