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On the Development and Application of Net-Sign Graph Theory

In: Towards an Information Theory of Complex Networks

Author

Listed:
  • Prabhat K. Sahu

    (Universität Würzburg, Institüt für Physikalische und Theoretische Chemie
    National Chung Cheng University, Department of Chemistry and Biochemistry)

  • Shyi-Long Lee

    (National Chung Cheng University, Department of Chemistry and Biochemistry)

Abstract

This report briefly describes the development and applications of net-sign graph theory. The current work enunciates the graph (molecule) signature of non-alternant non-benzenoid hydrocarbons with odd member of rings (non-bipartite molecular graphs) based on chemical signed graph theory. Experimental evidences and Hückel spectrum reveal that structure possessing nonbonding molecular orbital (NBMOs) is very unstable and highly reactive under the drastic conditions of low temperature. Chemical signed graph theoretical approach is applied successfully to classify the non-bipartite molecular graphs with a view to Randic’s conjugated circuit models based on their spectral characteristic. The obtained results based on net-sign approach are compared with those obtained using Hückel calculations.

Suggested Citation

  • Prabhat K. Sahu & Shyi-Long Lee, 2011. "On the Development and Application of Net-Sign Graph Theory," Springer Books, in: Matthias Dehmer & Frank Emmert-Streib & Alexander Mehler (ed.), Towards an Information Theory of Complex Networks, edition 1, chapter 0, pages 127-151, Springer.
    • Handle: RePEc:spr:sprchp:978-0-8176-4904-3_6
    DOI: 10.1007/978-0-8176-4904-3_6
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