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. 501508.
ISSN 00111643
Abstract
Valence connectivity in molecular graphs is described by 10tuples mu(ij) where mu(ij) denotes the number of edges connecting vertices of valences i and j. A shorter description is provided by 4tuples containing the number of vertices and values of Randic, Zagreb and modified Zagreb indices. Surprisingly, these two descriptions are in onetoone 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 10tuples.
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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927
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