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Carbon Bonding and Structures pp 205–225Cite as

Coding and Ordering Benzenoids and Their Kekulé Structures

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Part of the book series: Carbon Materials: Chemistry and Physics ((CMCP,volume 5))

Abstract

The coding and ordering of benzenoids and their Kekulé structures is discussed. The Wiswesser coding and the binary boundary coding systems are delineated and illustrated. The Wiswesser codes are also used to order cata- and peri-condensed benzenoids. The concept of numeric Kekulé structure is used for coding and ordering Kekulé structures of cata-condensed benzenoids. In the case of peri-condensed benzenoids the numeric code of Kekulé structures is not discriminative enough since there are Kekulé structures with identical numeric codes. In that case an additional code is needed, and here we suggest the perimeter code.

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Acknowledgements

This report was supported by the Croatian Ministry of Science, Education and Sports by grants No. 098-1770495-2919 and No. 022-1770495-2901.

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Authors and Affiliations

  1. The Rugjer Bošković Institute, Bijenička 54, 180, HR-10 002, Zagreb, Croatia

    Bono Lučić, Sonja Nikolić & Nenad Trinajstić

  2. The Institute for Medical Research and Occupational Health, Ksaverskac. 2, 291, HR-10 002, Zagreb, Croatia

    Ante Miličević

Authors
  1. Bono Lučić
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  2. Ante Miličević
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  3. Sonja Nikolić
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  4. Nenad Trinajstić
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Corresponding author

Correspondence to Bono Lučić .

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Editors and Affiliations

  1. West University of Timisoara, Str. Pestalozzi 16, Timisoara, RO-300115, Romania

    Mihai V. Putz

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Lučić, B., Miličević, A., Nikolić, S., Trinajstić, N. (2011). Coding and Ordering Benzenoids and Their Kekulé Structures. In: Putz, M. (eds) Carbon Bonding and Structures. Carbon Materials: Chemistry and Physics, vol 5. Springer, Dordrecht. https://doi.org/10.1007/978-94-007-1733-6_9

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