Preview

Nanosystems: Physics, Chemistry, Mathematics

Advanced search

Energy and spectral radius of Zagreb matrix of graph with applications

https://doi.org/10.17586/2220-8054-2024-15-3-315-324

Abstract

   The Z-matrix of a simple graph Γ is a square symmetric matrix, whose rows and columns correspond to the vertices of the graph and the ijth entry is equal to the sum of the degrees of ith and jth vertex, if the corresponding vertices are adjacent in Γ, and zero otherwise. The Zagreb eigenvalues of Γ are the eigenvalues of its Z-matrix and the Zagreb energy of Γ is the sum of absolute values of its Zagreb eigenvalues. We study the change in Zagreb energy of a graph when the edges of the graph are deleted or rotated. Suppose Γ is a graph obtained by identifying u ∈ V(Γ1) and v ∈ V(Γ2) or adding an edge between u and v, then it is important to study the relation between Zagreb energies of Γ1, Γ2 and Γ. The highlight of the paper is that, the acentric factor of n-alkanes appear to have a strong positive correlation (where the correlation coefficient is 0.9989) with energy of the Z-matrix. Also, the novel correlation of the density and refractive index of n-alkanes with spectral radius of the Z-matrix has been observed.

About the Authors

Sh. S. Shetty
http://nanojournal.ifmo.ru
Manipal Academy of Higher Education
India

Shashwath S. Shetty

Manipal Institute of Technology; Department of Mathematics

576104; Karnataka; Manipal 



K. A. Bhat
http://nanojournal.ifmo.ru
Manipal Academy of Higher Education
India

K. Arathi Bhat

Manipal Institute of Technology; Department of Mathematics

576104; Karnataka; Manipal 



References

1. Gutman I. and Furtula B. Graph energies and their applications. Bulletin (Acad´emie serbe des sciences et des arts. Classe des sciences math´ematiques et naturelles. Sciences math´ematiques), 2019, 44, P. 29–45.

2. Gutman I. The energy of a graph. Ber. Math. Stat. Sekt. Forschungsz. Graz., 1978, 103, P. 1–22.

3. Bozkurt S.B., A. Dilek G., Gutman I. and Cevik A.S. Randic matrix and Randic energy. MATCH Commun. Math. Comput. Chem, 2010, 64(1), P. 239–250.

4. Gutman I. and Trinajsti´c N. Graph theory and molecular orbitals. Total φ-electron energy of alternant hydrocarbons. Chem. phys. lett., 1972, 17(4), P. 535–538.

5. Gutman I. and Das K.C. The first Zagreb index 30 years after. MATCH Commun. Math. Comput. Chem., 2004, 50(1), P. 83–92.

6. Nikoli´c S., Kovaˇcevi´c G., Miliˇcevi´c A. and Trinajsti´c N. The Zagreb indices 30 years after. Croatica Chemica Acta, 2003, 76(2), P. 113–124.

7. Shetty S.S. and Bhat K.A. On the first Zagreb index of graphs with self-loops. AKCE Inter. J. Graphs Comb., 2023, 20(3), P. 326–331.

8. Rad N.J., Jahanbani A., and Gutman I. Zagreb energy and Zagreb estrada index of graphs. MATCH Commun. Math. Comput. Chem., 2018, 79, P. 371–386.

9. West D.B. Introduction to graph theory, 2. Prentice Hall Upper Saddle River, 2001.

10. Johnson C.R. and Horn R.A. Matrix analysis, Cambridge university press, Cambridge, 1985.

11. Yuan H. A bound on the spectral radius of graphs. Linear Algebra Appl. 1988, 108, P. 135–139.

12. Stevanovic D. Spectral radius of graphs, Birkh¨auser, 2014.

13. So W., Robbiano M., N.M.M. de Abreu and Gutman I. Applications of theorem by Ky Fan in the theory of graph energy. Linear Algebra Appl., 2010, 432(9), P. 2163–2169.

14. Coulson C.A. and Streitwieser A. Dictionary of π-electron calculations. Pergamon Press, 1965.

15. Zheng R., Su P. and Jin X. Arithmetic-geometric matrix of graphs and its applications. Applied Math. Comput., 2023, 442, P. 371–386.

16. Hayat S., Mahadi H., Alanazi S. and Wang S. Predictive potential of eigenvalues-based graphical indices for determining thermodynamic properties of polycyclic aromatic hydrocarbons with applications to polyacenes. Computat. Materials Sci., 2024, 238, P. 112944.

17. https://www.nist.gov/srd

18. Ohse R.W. and Tippelskirch H.V. The critical constants of the elements and of some refractory materials with high critical temperatures. High Temperatures-High Pressures, 1977, 9(4), P. 367–385.

19. Wang Q., Jia Q. and Ma P. Prediction of the acentric factor of organic compounds with the positional distributive contribution method. Journal of Chemical & Engineering Data, 2012, 57(1), P. 169–189.

20. Yaws C.L. The yaws handbook of physical properties for hydrocarbons and chemicals: physical properties for more than 54,000 organic and inorganic chemical compounds, Coverage for C1 to C100 Organics and Ac to Zr Inorganics. Gulf Professional Publishing, 2015.


Review

For citations:


Shetty Sh.S., Bhat K.A. Energy and spectral radius of Zagreb matrix of graph with applications. Nanosystems: Physics, Chemistry, Mathematics. 2024;15(3):315-324. https://doi.org/10.17586/2220-8054-2024-15-3-315-324

Views: 32


Creative Commons License
This work is licensed under a Creative Commons Attribution 4.0 License.


ISSN 2220-8054 (Print)
ISSN 2305-7971 (Online)