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- W2054400265 abstract "This note first defines a class of cylindrical polyarenes polycyclic aromatic hydrocarbons (PAHs) C2(m+ 1)nH2n, for which the periphery is acenic. From this class the leapfrog algorithm derives the second class of cylindrical PAHs C6nmH4n, where the periphery is phenacenic. One further application of this algorithm to the second class leads to the third class of cylindrical PAHs C12nmH8n, where the less regular periphery has 2n capes (i.e., hexagons exposed on four adjacent sides to the external “sea” of space). Each molecule in the second and third classes is totally covered by aromatic sextets, that is, appears related to a fully benzenoid hydrocarbon (FBH). The Pauling bond order, and several new indices derived from the Pauling bond order and Clar sextet counts are calculated for the three classes with increasing numbers of carbons. This calculation suggests that a typical cylindrical PAH becomes more graphite-like than a typical flat FBH." @default.
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- W2054400265 date "2004-06-01" @default.
- W2054400265 modified "2023-10-18" @default.
- W2054400265 title "A CLASSICAL VALENCE BOND VIEW OF CYLINDER-SHAPED AND FULLY BENZENOID-LIKE POLYARENES (POLYCYCLIC AROMATIC HYDROCARBONS) OF LARGE SIZE" @default.
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- W2054400265 doi "https://doi.org/10.1080/10406630490460629" @default.
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