Computer search for trees with minimal ABC index

Computer search for trees with minimal ABC index

The ABC index is a degree-based molecular structure descriptor, that found chemical applications. Finding the connected graph(s) of a given order whose ABC index is minimal is a hitherto unsolved problem, but it is known that these must be trees. In this paper, by combining mathematical arguments an...

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Veröffentlicht in:Applied mathematics and computation 2012-10, Vol.219 (2), p.767-772
Hauptverfasser: Furtula, Boris, Gutman, Ivan, Ivanović, Miloš, Vukičević, Damir
Format: Artikel
Sprache:eng
Schlagworte:
Computation
Computer simulation
Mathematical models
Molecular structure
Searching
Trees
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Beschreibung
Zusammenfassung:The ABC index is a degree-based molecular structure descriptor, that found chemical applications. Finding the connected graph(s) of a given order whose ABC index is minimal is a hitherto unsolved problem, but it is known that these must be trees. In this paper, by combining mathematical arguments and computer-based modeling we establish the basic structural features of the minimum-ABC trees.
ISSN:0096-3003
DOI:10.1016/j.amc.2012.06.075