فهرست مطالب

Mathematical Chemistry - Volume:9 Issue: 1, Winter 2018

Iranian Journal of Mathematical Chemistry
Volume:9 Issue: 1, Winter 2018

  • تاریخ انتشار: 1396/11/18
  • تعداد عناوین: 8
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  • M. V. Diudea* Pages 1-8
    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.
    Keywords: polyhedron, n-polytope, 24-cell, propellane
  • I. Gutman * Pages 9-16
    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.
    Keywords: Total pi-electron energy, topological resonance energy, energy-effect of cycle, aromaticity, Sachs theorem
  • J. Palacios * Pages 17-24
    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.
    Keywords: Laplacian indices, conjugate sequence, majorization
  • H. Bashiri *, A. Sahjari Pages 25-35
    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.
    Keywords: Multi-walled carbon nanotube, Spectral dimension, Fractal-like Langmuir model, Kinetics equation, Adsorption
  • A. Hamzeh, A. Iranmanesh *, S. Hossein-Zadeh, M. A. Hosseinzadeh, I. Gutman Pages 37-46
    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.
    Keywords: Common neighborhood graph, congraph, Mycielski graph, shadow graph, Haj´os join
  • Y. Nacaro, Lu *, A. D. Maden Pages 47-56
    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.
    Keywords: unicyclic graph, eccentric connectivity index, matching numbers, perfect matching
  • N. Dehgardi * Pages 57-63
    Let $G$ be a finite and simple graph with edge set $E(G)$ý. ýThe revised Szeged index is defined asý ý$Sz^{*}(G)=\sum_{e=uv\in E(G)}(n_u(e|G)\frac{n_{G}(e)}{2})(n_v(e|G)\frac{n {G}(e)}{2}),$ý ýwhere $n_u(e|G)$ denotes the number of vertices in $G$ lying closer to $u$ than to $v$ andý ý$n_{G}(e)$ is the number ofý ýequidistant vertices of $e$ in $G$ý.
    ýIn this paperý, ýwe compute the revised Szeged index of theý ýjoin and corona product of graphsý.
    Keywords: ?index of graphs?, ?revised Szeged index?, ?graph operations?
  • B. Davvaz *, M. Al Tahan Pages 65-75
    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.
    Keywords: Hv-semigroup, complete part, fundamental relation, Galvanic cell, Electrolytic cell