Abstract
The minimal energy of unicyclic Hückel molecular graphs with Kekulé structures, i.e., unicyclic graphs with perfect matchings, of which all vertices have degrees less than four in graph theory, is investigated. The set of these graphs is denoted by \(\mathcal{H}_n^l\) such that for any graph in \(\mathcal{H}_n^l\), n is the number of vertices of the graph and l the number of vertices of the cycle contained in the graph. For a given n(n ≥ 6), the graphs with minimal energy of \(\mathcal{H}_n^l\) have been discussed.
Similar content being viewed by others
References
Zhang F., Li H. (1999). Discrete Appl. Math. 92: 71–84
Zhang F.J., Li Z.M., Wang L. (2001). Chem. Phys. Lett. 337: 125–130
Zhang F.J., Li Z.M., Wang L. (2001). Chem. Phys. Lett. 337: 131–137
Li H. (1999). J. Math. Chem. 25: 145–169
Gutman I. (1977). Theoret. Chim. Acta 45: 79–87
Hou Y.P. (2001). Linear Multilinear Algebra. 49: 347–354
Hou Y.P. (2001). J. Math. Chem. 29: 163–168
Gutman I., Hou Y.P. (2001). MATCH-Commun. Math. Comput. Chem. 43: 17–28
Rada J. (2005). Discrete Appl. Math. 145: 437–443
Gutman I., Polansky O.E. (1986). Mathematical Concepts in Organic Chemistry. Springer-Verlag, Berlin
Cvetković D.M., Doob M., Sachs H. (1980). Spectra of Graphs-Theory and Application. Academic Press, New York
Gutman I., Trinajstic N., Zivkovic T. (1972). Croat. Chem. Acta 44: 501–505
Gutman I. (1980). J. Phys. Sci. 35: 453–457
Aihara J. (1980). Bull. Chem. Soc. Jpn. 53: 1751–1752
Dias J.R. (2004). Croat. Chem. Acta 77: 325–330
Author information
Authors and Affiliations
Corresponding author
Additional information
MSC 2000: 05C17, 05C35
Rights and permissions
About this article
Cite this article
Wang, WH., Chang, A., Zhang, LZ. et al. Unicyclic Hückel molecular graphs with minimal energy. J Math Chem 39, 231–241 (2006). https://doi.org/10.1007/s10910-005-9022-4
Received:
Revised:
Published:
Issue Date:
DOI: https://doi.org/10.1007/s10910-005-9022-4