Coding and Ordering Kekule Structures.
نویسندگان
چکیده
منابع مشابه
Coding and Ordering Kekulé Structures
The concept of numerical Kekulé structures is used for coding and ordering geometrical (standard) Kekulé structures of several classes of polycyclic conjugated molecules: catacondensed, pericondensed, and fully arenoid benzenoid hydrocarbons, thioarenoids, and [N]phenylenes. It is pointed out that the numerical Kekulé structures can be obtained for any class of polycyclic conjugated systems tha...
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Electronic and transport properties of Graphene, a one-atom thick crystalline material, are sensitive to the presence of atoms adsorbed on its surface. An ensemble of randomly positioned adatoms, each serving as a scattering center, leads to the Bolzmann-Drude diffusion of charge determining the resistivity of the material. An important question, however, is whether the distribution of adatoms ...
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Localized molecular orbitals for n-systems of conjugated polycyclic hydrocarbons have been calculated using both intrinsic and external localization criteria relying only on molecular topology. For benzenoid aromatic compounds the intrinsic localized molecular orbital arrangement can always be associated to the Kekule structure of maximal Kekule index value. However hydrocarbons containing four...
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One-dimensional polymer refers here to a polymer with a variable size in only one dimension. A new method for enumeration of Kekulć structures in such polymeric conjugated hydrocarbons is presented. It is quite general, but still efficient and simple to use. It is especially usefu1 for evaluation of the Kekule structure count, K, in polymers with regular structure, i. e. in those built up of eq...
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für Naturforschung in cooperation with the Max Planck Society for the Advancement of Science under a Creative Commons Attribution 4.0 International License. Dieses Werk wurde im Jahr 2013 vom Verlag Zeitschrift für Naturforschung in Zusammenarbeit mit der Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. digitalisiert und unter folgender Lizenz veröffentlicht: Creative Commons Namen...
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ژورنال
عنوان ژورنال: ChemInform
سال: 2004
ISSN: 0931-7597,1522-2667
DOI: 10.1002/chin.200425220