Journal of Mathematical Nanoscience
https://jmathnano.sru.ac.ir/
Journal of Mathematical Nanoscienceendaily1Sat, 01 Dec 2018 00:00:00 +0330Sat, 01 Dec 2018 00:00:00 +0330On the distance matrix of an infinite class of fullerene graphs
https://jmathnano.sru.ac.ir/article_977.html
Let G be a graph, the distance d(u,v) between two vertices u and v of G is the minimumlength of the paths connecting them. The aim of this paper is computing the distance matrix of infinitefamiliy of fullerene graph A10n. Atom bond connectivity temperature index of certain nanostructures
https://jmathnano.sru.ac.ir/article_846.html
In the study of QSPR/QSAR, topological indices such as Zagreb index, Randic index, atom-bond connectivity index are exploited to estimate the bioactivity of chemical compounds. Inspired by many degree based topological indices, we propose here a new topological index, called the Atom Bond Connectivity temperature index ABCT(G) of a molecular graph G, which shows good correlation with entropy, acentric factor, enthalpy of vaporization and standard enthalpy of vaporization of an octane isomers. In this paper we compute the Atom Bond Connectivity temperature index ABCT(G) of line graphs of subdivision graphs of 2D-lattice, nanotube and nanotorus of TUC_4 C_8 [p,q].Computing the clar number of nanotubes and other fullerenes
https://jmathnano.sru.ac.ir/article_843.html
We exhibit a polynomial time algorithm that computes the Clar number of any nanotube. This algorithm can be easily extended to one that computes the Clar number of fullerene whose pentagon-clusters are all of even size. It is known that computing the Clar number of planar graphs is NP-hard. It is not known if computing the Clar number of fullerenes is a tractable problem. We show that the latter problem can be suitably approximated in polynomial time, and we also discuss the existence of fpt-algorithms for this important problem of Cheminformatics.Topological indices of some families of nanostar dendrimers
https://jmathnano.sru.ac.ir/article_847.html
A molecular graph is hydrogen depleted chemical structure in which vertices denote atoms and edges denote the bonds. Nanostar dendrimers, a type of chemical compound, have potential in fields such as chemistry, nanotechnology, electronics, optics, materials science and architecture. Nanostar dendrimers and their molecular descriptors are being widely used in QSAR/QSPR and these are studies in chemistry and drugj designing as well as modeling of compounds. There are certain types of topological indices like distance based, degree based and counting related topological indices. In this article we gave exacts relations for first and second Zagrebs index, hyper Zagreb index, multiplicative Zagreb indices ass well as first and second Zagreb polynomials for some families of nanostar dendrimers.Energy of graphs
https://jmathnano.sru.ac.ir/article_878.html
The energy, E(G), of a simple graph G is defined to be the sum of the absolute values of the eigen values of G. In this paper, we introduce some in-equalities of energy of graphs.Eccentricity Based Indices for Some Classes Fence Graphs
https://jmathnano.sru.ac.ir/article_1002.html
One of the most important ideas employed in chemical graph theory is that of so-called topological indices. This is to associate a numerical value with a graph structure that often has some kind of correlation with corresponding chemicals properties. In this paper, we consider some infinite families of 3-fence graphs, namely, ladder, circular ladder and Mobius ladder. We compute some of the eccentricity based topological indices of these graphs and their line graphs.