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Beilstein J. Nanotechnol. 2011, 2, 862–871, doi:10.3762/bjnano.2.95
Figure 1: An example of a Hückel model for a four-site molecule, the numbering of the sites corresponds to th...
Figure 2: Examples of molecular structures (top) and the corresponding model systems (bottom) for true cross-...
Figure 3: The transmission through three model cross-conjugated molecules calculated using Hückel theory. In ...
Figure 4: The chemical structure (inset top), space-filling model (inset bottom) and transmission for the 2cc...
Figure 5: The local π-transmission (contributions to the transmission between pairs of atoms) for the species...
Figure 6: A modified Hückel model for 2cc with first- (solid), second- (dashed) and third- (dashed-dot) neare...
Figure 7: The chemical structure (inset top), space-filling model (inset bottom) and transmission for the 2cc...
Figure 8: The chemical structure (inset top), space-filling model (inset bottom) and transmission for the 2cc...
Figure 9: The same systems as calculated in Figure 3, but calculated by using the MDE many-body method. In both 2cc a...