Iranian Journal of Mathematical ChemistryIranian Journal of Mathematical Chemistry
http://ijmc.kashanu.ac.ir/
Thu, 22 Feb 2018 10:39:16 +0100FeedCreatorIranian Journal of Mathematical Chemistry
http://ijmc.kashanu.ac.ir/
Feed provided by Iranian Journal of Mathematical Chemistry. Click to visit.Hypercube Related Polytopes
http://ijmc.kashanu.ac.ir/article_54283_5999.html
Body centered structures are used as seeds for a variety of structures of rank 3 and higher. Propellane based structures are introduced and their design and topological properties are detailed.Wed, 28 Feb 2018 20:30:00 +0100General Theory of Cycle-Dependence of Total pi-Electron Energy
http://ijmc.kashanu.ac.ir/article_54503_5999.html
The theoretical treatment of cycle-effects on total pi-electron energy, mainly elaborated by Nenad Trinajstic and his research group, is re-stated in a general and more formal manner. It enables to envisage several other possible ways of measuring the cycle-effects and points at further directions of research.Wed, 28 Feb 2018 20:30:00 +0100An application of geometrical isometries in non-planar molecules
http://ijmc.kashanu.ac.ir/article_45090_0.html
In this paper we introduce a novel methodology to transmit the origin to the center of a polygon in a molecule structure such that the special axis be perpendicular to the plane containing the polygon. The mathematical calculation are described completely and the algorithm will be showed as a computer program.Tue, 18 Apr 2017 19:30:00 +0100Trees with the greatest Wiener and edge-Wiener index
http://ijmc.kashanu.ac.ir/article_48335_0.html
The Wiener index W and the edge-Wiener index W_e of G are defined as the sum of distances between all pairs of vertices in G and the sum of distances between all pairs of edges in G, respectively. In this paper, we identify the four trees, with the first through fourth greatest Wiener and edge-Wiener index among all trees of order n ≥ 10.Tue, 11 Jul 2017 19:30:00 +0100More inequalities for Laplacian indices by way of majorization
http://ijmc.kashanu.ac.ir/article_54880_5999.html
The n-tuple of Laplacian characteristic values of a graph is majorized by the conjugate sequence of its degrees. Using that result we find a collection of general inequalities for a number of Laplacian indices expressed in terms of the conjugate degrees, and then with a maximality argument, we find tight general bounds expressed in terms of the size of the vertex set n and the average degree dG = 2|E|/n. We also find some particular tight bounds for some classes of graphs in terms of customary graph parameters.Wed, 28 Feb 2018 20:30:00 +0100Fractal-Like Kinetics Study of Adsorption on Multi-walled Carbon Nanotube
http://ijmc.kashanu.ac.ir/article_54881_5999.html
The fractal degree of adsorption on the multi-walled carbon nanotube has been investigated. The fractal-like Langmuir kinetics model has been used to obtain the fractal degree of ion adsorption on multi-walled carbon nanotube. The behavior of the fractal-like kinetics equation was compared with some famous rate equations like Langmuir, pseudo-first-order and pseudo-second-order equations. It is shown that the kinetic of adsorption onto multi-walled carbon nanotube can be used to obtain its spectral dimension, successfully.Wed, 28 Feb 2018 20:30:00 +0100On common neighborhood graphs II
http://ijmc.kashanu.ac.ir/article_55313_5999.html
Let G be a simple graph with vertex set V (G). The common neighborhood graph or congraph of G, denoted by con(G), is a graph with vertex set V (G), in which two vertices are adjacent if and only if they have at least one common neighbor in G. We compute the congraphs of some composite graphs. Using these results, the congraphs of several special graphs are determined.Wed, 28 Feb 2018 20:30:00 +0100On the Eccentric Connectivity Index of Unicyclic Graphs
http://ijmc.kashanu.ac.ir/article_55332_5999.html
In this paper, we obtain the upper and lower bounds on the eccen- tricity connectivity index of unicyclic graphs with perfect matchings. Also we give some lower bounds on the eccentric connectivity index of unicyclic graphs with given matching numbers.Wed, 28 Feb 2018 20:30:00 +0100A Note on Revised Szeged Index of Graph Operations
http://ijmc.kashanu.ac.ir/article_55333_5999.html
Let $G$ be a finite and simple graph with edge set $E(G)$‎. ‎The revised Szeged index is defined as‎ ‎$Sz^{*}(G)=sum_{e=uvin E(G)}(n_u(e|G)+frac{n_{G}(e)}{2})(n_v(e|G)+frac{n_{G}(e)}{2}),$‎ ‎where $n_u(e|G)$ denotes the number of vertices in $G$ lying closer to $u$ than to $v$ and‎ ‎$n_{G}(e)$ is the number of‎ ‎equidistant vertices of $e$ in $G$‎. ‎In this paper‎, ‎we compute the revised Szeged index of the‎ ‎join and corona product of graphs‎.Wed, 28 Feb 2018 20:30:00 +0100Weak chemical hyperstructures associated to electrochemical cells
http://ijmc.kashanu.ac.ir/article_55795_5999.html
Algebraic hyperstructures have many applications in various sciences. The main purpose of this paper is to provide a new application of weak hyperstructures in Chemistry. More precisely, we present three different examples of hyperstructures associated to electrochemical cells. In which we prove that our hyperstructures are Hv-semigroups and we present some interesting results.Wed, 28 Feb 2018 20:30:00 +0100