Naslov
Bond-degrees and Applications

Autori
Vukičević, Damir

Vrsta, podvrsta i kategorija rada
Poglavlja u knjigama, ostalo

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

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.

Izvorni jezik
Engleski

Znanstvena područja
Matematika, Kemija

POVEZANOST RADA