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

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

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

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

Istituto di Ricerche Farmacologiche "Mario Negri"

Research output: Contribution to journal › Article › peer-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 (G_c) and hydrogen-filled (G _H) molecular graphs of saturated hydrocarbons. It is shown that M₁(G*) = 12 M₁(G_c) + 9M ₁(G_H) + 96 (c - 1) and M₂(G*) = 36 M ₂(G_C) + 15 M₂(G_H) + 54 M ₁(G_c) + 96 (c - 1), where c is the number of (independent) cycles of the underlying molecule.

Original language	English
Pages (from-to)	225-230
Number of pages	6
Journal	Match
Volume	53
Issue number	1
Publication status	Published - 2005

ASJC Scopus subject areas

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

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author = "Ivan Gutman and Boris Furtula and Toropov, {Andrey A.} and Toropova, {Alla P.}",

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AU - Furtula, Boris

AU - Toropov, Andrey A.

AU - Toropova, Alla P.

PY - 2005

Y1 - 2005

N2 - 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.

AB - 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.

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

Abstract

ASJC Scopus subject areas

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