University of KashanIranian Journal of Mathematical Chemistry2228-64893120120201Chebyshev finite difference method for a two−point boundary value problems with applications to chemical reactor theory17519710.22052/ijmc.2012.5197ENA. SaadatmandiUniversity of KashanM. R.AziziShariaty Technical CollegeJournal Article20111220In this paper, a Chebyshev finite difference method has been proposed in order to solve nonlinear two-point boundary value problems for second order nonlinear differential equations. A problem arising from chemical reactor theory is then considered. The approach consists of reducing the problem to a set of algebraic equations. This method can be regarded as a non-uniform finite difference scheme. The method is computationally attractive and applications are demonstrated through an illustrative example. Also a comparison is made with existing results.University of KashanIranian Journal of Mathematical Chemistry2228-64893120120201Study of fullerenes by their algebraic properties924519810.22052/ijmc.2012.5198ENM. GhorbaniShahid Rajaee Teacher Training
UniversityS. Heidari RadShahid Rajaee Teacher Training
UniversityJournal Article20111210The eigenvalues of a graph is the root of its characteristic polynomial. A fullerene F is a 3- connected graphs with entirely 12 pentagonal faces and n/2 -10 hexagonal faces, where n is the number of vertices of F. In this paper we investigate the eigenvalues of a class of fullerene graphs.University of KashanIranian Journal of Mathematical Chemistry2228-64893120120201On discriminativity of Zagreb indices2534519910.22052/ijmc.2012.5199ENT. DoslicUniversity of ZagrebJournal Article20120110Zagreb indices belong to better known and better researched topological indices. We investigate here their ability to discriminate among benzenoid graphs and arrive at some quite unexpected conclusions. Along the way we establish tight (and sometimes sharp) lower and upper bounds on various classes of benzenoids.University of KashanIranian Journal of Mathematical Chemistry2228-64893120120201Centric connectivity index by shell matrices3543520010.22052/ijmc.2012.5200ENM. V.DiudeaBabes-Bolyai UniversityJournal Article20120110Relative centricity RC values of vertices/atoms are calculated within the Distance Detour and Cluj-Distance criteria on their corresponding Shell transforms. The vertex RC distribution in a molecular graph gives atom equivalence classes, useful in interpretation of NMR spectra. Timed by vertex valences, RC provides a new index, called Centric Connectivity CC, which can be useful in the topological characterization of graphs and in QSAR/QSPR studies.University of KashanIranian Journal of Mathematical Chemistry2228-64893120120201Distance-based topological indices of tensor product of graphs4553520110.22052/ijmc.2012.5201ENM. J.Nadjafi-AraniUniversity of KashanH. KhodashenasUniversity of KashanJournal Article20110610Let G and H be connected graphs. The tensor product G + H is a graph with vertex set V(G+H) = V (G) X V(H) and edge set E(G + H) ={(a , b)(x , y)| ax ∈ E(G) & by ∈ E(H)}. The graph H is called the strongly triangular if for every vertex u and v there exists a vertex w adjacent to both of them. In this article the tensor product of G + H under some distancebased topological indices are investigated, when H is a strongly triangular graph. As a special case most of results given by Hoji, Luob and Vumara in [Wiener and vertex PI indices of Kronecker products of graphs, Discrete Appl. Math., 158 (2010), 1848-1855] will be deduced.University of KashanIranian Journal of Mathematical Chemistry2228-64893120120201On the edge reverse Wiener indices of TUC4C8(S) nanotubes5565520910.22052/ijmc.2012.5209ENA. MahmianiPayame Noor UniversityO. KhormaliTarbiat Modares UniversityA. IranmaneshTarbiat Modares UniversityJournal Article20120101The edge versions of reverse Wiener indices were introduced by Mahmiani et al. very recently. In this paper, we find their relation with ordinary (vertex) Wiener index in some graphs. Also, we compute them for trees and TUC4C8(s) naotubes.University of KashanIranian Journal of Mathematical Chemistry2228-64893120120201Computing the Szeged index of 4,4 ׳-bipyridinium dendrimer6772521910.22052/ijmc.2012.5219ENA. ARJOMANFARShar-e-Ray Branch,IranN. GHOLAMIIslamic Azad University, Izeh Branch, Khouzestan, IranJournal Article20140429Let e be an edge of a G connecting the vertices u and v. Define two sets N1 (e | G) and N2(e |G) as N1(e | G)= {xV(G) d(x,u) d(x,v)} and N2(e | G)= {xV(G) d(x,v) d(x,u) }.The number of elements of N1(e | G) and N2(e | G) are denoted by n1(e | G) and n2(e | G) , respectively. The Szeged index of the graph G is defined as Sz(G) ( ) ( ) 1 2 n e G n e G e E . In this paper we compute the Szeged index of a 4,4 ׳-Bipyridinium dendrimer.University of KashanIranian Journal of Mathematical Chemistry2228-64893120120201Some topological indices of graphs and some inequalities7380522010.22052/ijmc.2012.5220ENM. MOGHARRABPersian Gulf University, Bushehr, IranB. KHEZRI–MOGHADDAMPayame Noor University, Shiraz,
IranJournal Article20140429Let G be a graph. In this paper, we study the eccentric connectivity index, the new version of the second Zagreb index and the forth geometric–arithmetic index.. The basic properties of these novel graph descriptors and some inequalities for them are established.University of KashanIranian Journal of Mathematical Chemistry2228-64893120120201Automatic graph construction of periodic open tubulene ((5,6,7)3) and computation of its Wiener, PI, and Szeged indices8194522110.22052/ijmc.2012.5221ENA. YOOSOFANUniversity of Kashan,
IranM. NAMAZI−FARDUniversity of Kashan,
IranJournal Article20140429The mathematical properties of nano molecules are an interesting branch of nanoscience for researches nowadays. The periodic open single wall tubulene is one of the nano molecules which is built up from two caps and a distancing nanotube/neck. We discuss how to automatically construct the graph of this molecule and plot the graph by spring layout algorithm in graphviz and netwrokx packages. The similarity between the shape of this molecule and the plotted graph is a consequence of our work. Furthermore, the Wiener, Szeged and PI indices of this molecule are computed.