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Figure 10
Energy framework diagram for separate electrostatic (left, red) and dispersion (middle, green) components of (I) and the total interaction energy (right, blue). The energy factor scale is 60 and the cut-off is 5.00 kJ mol−1. |
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Figure 10
Energy framework diagram for separate electrostatic (left, red) and dispersion (middle, green) components of (I) and the total interaction energy (right, blue). The energy factor scale is 60 and the cut-off is 5.00 kJ mol−1. |