Open Chemistry (May 2021)

Theoretical study of energy, inertia and nullity of phenylene and anthracene

  • Ahmad Zaheer,
  • Mufti Zeeshan Saleem,
  • Nadeem Muhammad Faisal,
  • Shaker Hani,
  • Siddiqui Hafiz Muhammad Afzal

DOI
https://doi.org/10.1515/chem-2020-0160
Journal volume & issue
Vol. 19, no. 1
pp. 541 – 547

Abstract

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Energy of a molecule plays an important role in physics, chemistry and biology. In mathematics, the concept of energy is used in graph theory to help other subjects such as chemistry and physics. In graph theory, nullity is the number of zeros extracted from the characteristic polynomials obtained from the adjacency matrix, and inertia represents the positive and negative eigenvalues of the adjacency matrix. Energy is the sum of the absolute eigenvalues of its adjacency matrix. In this study, the inertia, nullity and signature of the aforementioned structures have been discussed.

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