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Pregled bibliografske jedinice broj: 468610

Poglavlje/Rad u knjizi

Autori: Vukičević, Damir
Naslov: Bond-degrees and Applications
( Bond-degrees and Applications )
Knjiga: Novel Molecular Structure Descriptors - Theory and Applications II
Urednik/ci: Gutman, Ivan ; Furtula, Boris
Izdavač: MCM
Grad: Kragujevac
Godina: 2010
Raspon stranica:: 205-216
ISBN: 978-86-81829-99-8
Ključne riječi: bond degrees, molecular descriptors
( bond degrees, molecular descriptors )
Sažetak:
Bond-degree is the unordered pair of the degrees of the incident vertices. The number m_ij denotes the number of bonds with bond-degree , i.e. the number of bonds which end vertices have degrees i and j . In this paper we analyze the applications and mathematical properties of these numbers. First, we mention some of the most famous molecular descriptors that can be expressed in the terms of (m_ij)s. Then, we present necessary and sufficient conditions on the existence of graphs and of trees with the prescribed values of (m_ij)s. We analyze applications of (m_ij)s in the analyses of the extremal graphs of different molecular descriptors in the family of chemical trees and chemical graphs. Also, we analyze applications of these results to the comparison of the discirminativity of molecular descriptors. We conclude the paper by presenting the software Thorny graph calculator that analyses the existence of the unicyclic graph with the given values of (m_ij)s and given types of thorns.
Projekt / tema: 177-0000000-0884, 037-0000000-2779
Izvorni jezik: eng
Kategorija: Ostalo
Znanstvena područja:
Matematika,Kemija
Upisao u CROSBI: vukicevi@pmfst.hr (vukicevi@pmfst.hr), 13. Tra. 2010. u 13:05 sati



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