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Figure 5
Calculated energy lattices (CE-B3LYP) for 1 and 2, viewed perpendicular to (leftmost figures) and down the propagation axes of the pseudo 41-screw. Coulombic interactions are represented by red tubes, dispersive interactions by green and total energy by blue ones. The tube scale is set to 150 and the cut-off for weak interactions is set to 10 kJ mol−1. |
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