The graph of atomic orbitals and its basic properties. 2. Zagreb indices

Ivan Gutman, Boris Furtula, Andrey A. Toropov, Alla P. Toropova

Research output: Contribution to journalArticlepeer-review

Abstract

Relations are established between the first and second Zagreb index (M 1 and M2) of the graph of atomic orbitals (G*), and of the ordinary hydrogen-depleted (Gc) and hydrogen-filled (G H) molecular graphs of saturated hydrocarbons. It is shown that M1(G*) = 12 M1(Gc) + 9M 1(GH) + 96 (c - 1) and M2(G*) = 36 M 2(GC) + 15 M2(GH) + 54 M 1(Gc) + 96 (c - 1), where c is the number of (independent) cycles of the underlying molecule.

Original languageEnglish
Pages (from-to)225-230
Number of pages6
JournalMatch
Volume53
Issue number1
Publication statusPublished - 2005

ASJC Scopus subject areas

  • Chemistry(all)
  • Computer Science Applications
  • Computational Theory and Mathematics
  • Applied Mathematics

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