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Figure 8
The energy framework diagrams for (I)[link] showing (a) Eelectrostatic (red cylinders), (b) Edispersion (green cylinders) and (c) Etotal (blue cylinders), viewed along the a axis. The frameworks were adjusted to the same scale factor of 50 with a cut-off value of 2.39 kcal mol−1 within 2 × 2 × 2 unit cells. The corresponding cylinder radii are proportional to the relative magnitude of the energies.

ISSN: 2056-9890
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