Comparability graphs and electronic spectra of condensed benzenoid hydrocarbons |
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Authors: | D Bonchev O Mekenyan |
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Institution: | Higher School of Chemical Technology, Burgas 8010, Bulgaria |
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Abstract: | A systematic topological approach to the search for regularities in molecular properties has been proposed on the basis of the so-called comparability graphs of isomeric classes of molecules. It is shown that the ordering of the isomeric benzenoid hydrocarbons in the comparability graphs coincides with that of the longest wavelenght in the p band of their electronic spectra. |
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