Fig. 4 | Nature Communications

Fig. 4

From: Halogen bonding as a supramolecular dynamics catalyst

Fig. 4

DFT-calculated relative energy as a function of the methyl group dihedral angle (H–C–C–C). The blue circles denote pure TMP (6) and the magenta triangles denote cocrystal 2. A diagram showing the methyl group geometry at the energy maximum, zero-crossing, and minimum is shown on the right. A depiction showing the perspective in the diagram is shown on the bottom right

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