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. 2011 Dec 29;2:862–871. doi: 10.3762/bjnano.2.95

Figure 8.

Figure 8

The chemical structure (inset top), space-filling model (inset bottom) and transmission for the 2cc-type system with hyperconjugative coupling between the cross-conjugated units as calculated by using gDFTB. The total transmission (red) is plotted along with the σ- (orange) and π- (green) components. The π-transmission exhibits degenerate interference features, while the true zero is lost through the hyperconjugative coupling.