Molecular cyclicity and centricity of polycyclic graphs. I. Cyclicity based on resistance distances or reciprocal distances
Authors:
- 15 March 1994
- journal article
- research article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 50 (1) , 1-20
Abstract
Rules for molecular cyclicity based on the global indices resulting from reciprocal distances (Harary number, H) or from resistance distances (Kirchhoff number, Kf) were tested in comparison with those elaborated earlier by means of the Wiener index, W. The Harary number and the Wiener number were found to match molecular cyclicity in an almost identical manner. The Kirchhoff number also generally follows cyclicity trends described previously. H is slightly less degenerate than is W, but Kf has practically no degeneracy in the graphs investigated here. Being much more discriminating than the Wiener number (i.e., practically nondegenerate), Kf allowed the formulation of new rules for systems formed from linearly condensed ribbons of even‐membered rings with different sizes as well as for branched ribbons. The topological cyclicity patterns are thus reformulated in an extended basis, proceeding from three different graph metrics. © 1994 John Wiley & Sons, Inc.Keywords
This publication has 9 references indexed in Scilit:
- Resistance distanceJournal of Mathematical Chemistry, 1993
- On the Harary index for the characterization of chemical graphsJournal of Mathematical Chemistry, 1993
- Design of topological indices. Part 4. Reciprocal distance matrix, related local vertex invariants and topological indicesJournal of Mathematical Chemistry, 1993
- Using real numbers as vertex invariants for third-generation topological indexesJournal of Chemical Information and Computer Sciences, 1992
- An Electrical LemmaMathematics Magazine, 1987
- Topological characterization of cyclic structuresInternational Journal of Quantum Chemistry, 1980
- Topological properties of benzenoid systemsTheoretical Chemistry Accounts, 1977
- GRAPH THEORY1969
- Correlation of Heats of Isomerization, and Differences in Heats of Vaporization of Isomers, Among the Paraffin HydrocarbonsJournal of the American Chemical Society, 1947