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Figure 5
2D contour diagrams of L(r) for the complexes of pyridine with (a) I2, (b) ICN, (c) Br2 and (d) BrCN using the B3LYP wavefunctions. Solid-red and dashed-blue lines correspond to positive and negative contours, respectively. |
IUCrJ
ISSN: 2052-2525
MATERIALS | COMPUTATION
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