Comparing energy and Randic energy

Authors

  • Boris Furtula Faculty of Science University of Kragujevac P. O. Box 60 34000 Kragujevac
  • Ivan Gutman Faculty of Science University of Kragujevac P. O. Box 60 34000 Kragujevac

DOI:

https://doi.org/10.20450/mjcce.2013.127

Keywords:

total π-electron energy, Randić energy, molecular graph, energy (of graph)

Abstract

The recently conceived Randić energy (RE) is examined, and its relation to the (earlier much studied) total π-electron energy (E) is investigated. Within classes of molecular graphs, there exists a relatively good (increasing) linear correlation between RE and E. However, several significant differences between the structure-dependencies of RE and E have been discovered, the most striking of which is their dependence on the number m of edges of the underlying graph. Whereas, with increasing m, the average value of E increases, reaches a maximum and then decreases, the average value of RE monotonically decreases. The structure of the connected graph with a fixed number of vertices and maximal RE value was established.

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Published

2013-06-15

How to Cite

Furtula, B., & Gutman, I. (2013). Comparing energy and Randic energy. Macedonian Journal of Chemistry and Chemical Engineering, 32(1), 117–123. https://doi.org/10.20450/mjcce.2013.127

Issue

Vol. 32 No. 1 (2013)

Section

Theoretical Chemistry

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