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Analysis of the π-electronic structure of infinitely large networks. I. Some remarks on the characteristic polynomial and density of states of large polycyclic aromatic hydrocarbons

✍ Scribed by Haruo Hosoya; Misako Aida; Reiko Kumagai; Kazu Watanabe

Publisher: John Wiley and Sons
Year: 1987
Tongue: English
Weight: 505 KB
Volume: 8
Category: Article
ISSN: 0192-8651
DOI: 10.1002/jcc.540080412

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✦ Synopsis

General expressions of the characteristic polynomials of various series of cyclic and linear polymers of polycyclic aromatic hydrocarbons are presented, i.e., polyacene, zigzag-polyacene, 1,6dimethylbenzene polymer, polyperylene, etc. The densities of states of cyclic and linear polymers with the same repetitive units are shown. In some cases the allowed region of the energy levels of these polymers is found not to be the same. Several related problems are discussed.

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