Valence connectivity versus Randic, Zagreb and modified Zagreb index: A linear algorithm to check discriminative properties of indices in acyclic molecular graphs

Vukičević, Damir; Graovac, Ante (2004) Valence connectivity versus Randic, Zagreb and modified Zagreb index: A linear algorithm to check discriminative properties of indices in acyclic molecular graphs. Croatica Chemica Acta, 77 (3). pp. 501-508. ISSN 0011-1643

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Abstract

Valence connectivity in molecular graphs is described by 10-tuples mu(ij) where mu(ij) denotes the number of edges connecting vertices of valences i and j. A shorter description is provided by 4-tuples containing the number of vertices and values of Randic, Zagreb and modified Zagreb indices. Surprisingly, these two descriptions are in one-to-one correspondence for all acyclic molecules of practical interest, i.e., for all those having no more than 100 atoms. This result was achieved by developing an efficient algorithm that is linear in the number of 10-tuples.

Item Type:	Article
Uncontrolled Keywords:	valence connectivity; acyclic molecular graphs; topological indices; hydrocarbons
Subjects:	NATURAL SCIENCES > Chemistry
Divisions:	NMR Center
Projects:	Project title Project leader Project code Project type Diskretna matematika i primjene Dragutin Svrtan 0037117 MZOS Modeliranje novih ugljikovih materijala Ante Graovac 0098039 MZOS
Depositing User:	Bojan Macan
Date Deposited:	12 Nov 2013 12:58
URI:	http://fulir.irb.hr/id/eprint/927

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