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On spectrum related topological descriptors of carbon nanocones

S. HAYAT1,* , A. KHAN2, F. YOUSAFZAI2, M. IMRAN1, M. U. REHMAN3

Affiliation

  1. Department of Mathematics, School of Natural Sciences (SNS), National University of Sciences and Technology (NUST), Sector H-12, Islamabad, Pakistan
  2. School of Mathematical Sciences, University of Science and Technology of China (USTC), Hefei, Anhui, China
  3. Department of Mathematics, Karakoram International University, Gilgit-Baltistan, Pakistan

Abstract

The study of spectrum (i.e. multiset of eigenvalues) of graphs especially molecular graphs has found a considerable use in theoretical chemistry and computational nanoscience. There are various kinds of spectrum related topological indices such as, energy, Estrada index, Laplacian Estrada index, positive and negative inertia indices, nullity, signature etc., which play a key role in QSAR/QSPR studies. Energy and Estrada indices relate energies associated to the  -electron orbitals with the conjugated hydrocarbons and the degree of folding of proteins and some other long-chain biomolecules respectively. Whereas, inertia indices and nullity have found a significant use in the study of stability of chemical compounds. In this paper, inertia indices, nullity and signature of [ ] 3 CNC n and [ ] 5 CNC n nanocones are studied. Furthermore, we formulate a conjecture on these numerical parameters for general [ ] 2 1 CNC n k nanocones..

Keywords

Inertia indices, Nullity, Signature, Carbon nanocones.

Citation

S. HAYAT, A. KHAN, F. YOUSAFZAI, M. IMRAN, M. U. REHMAN, On spectrum related topological descriptors of carbon nanocones, Optoelectronics and Advanced Materials - Rapid Communications, 9, 5-6, May-June 2015, pp.798-802 (2015).

Submitted at: April 30, 2015

Accepted at: May 7, 2015