eng
University of Kashan
Iranian Journal of Mathematical Chemistry
2228-6489
2008-9015
2012-02-01
3
1
1
7
10.22052/ijmc.2012.5197
5197
Chebyshev finite difference method for a two−point boundary value problems with applications to chemical reactor theory
A. Saadatmandi
saadatmandi@kashanu.ac.ir
1
M. Azizi
2
University of Kashan
Shariaty Technical College
In 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.
http://ijmc.kashanu.ac.ir/article_5197_e39896886e9c361a7e56fda0b7f221a5.pdf
Chemical reactor
Chebyshev finite difference method
Numerical methods
Boundary value problems
Gauss–Lobatto nodes
eng
University of Kashan
Iranian Journal of Mathematical Chemistry
2228-6489
2008-9015
2012-02-01
3
1
9
24
10.22052/ijmc.2012.5198
5198
Study of fullerenes by their algebraic properties
M. Ghorbani
ghorbani30@gmail.com
1
S. Heidari Rad
2
Shahid Rajaee Teacher Training University
Shahid Rajaee Teacher Training University
The 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.
http://ijmc.kashanu.ac.ir/article_5198_a8fa41f6fd14aa9bd445b3b2f8726e3b.pdf
Molecular graph
Adjacency matrix
Eigenvalue
Fullerene
eng
University of Kashan
Iranian Journal of Mathematical Chemistry
2228-6489
2008-9015
2012-02-01
3
1
25
34
10.22052/ijmc.2012.5199
5199
On discriminativity of Zagreb indices
T. Doslic
doslic@master.grad.hr
1
University of Zagreb
Zagreb 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.
http://ijmc.kashanu.ac.ir/article_5199_c6ae7c7fcc36f66e8bee02e54e98d61a.pdf
Zagreb index
Benzenoid graph
Catacondensed benzenoid
eng
University of Kashan
Iranian Journal of Mathematical Chemistry
2228-6489
2008-9015
2012-02-01
3
1
35
43
10.22052/ijmc.2012.5200
5200
Centric connectivity index by shell matrices
M. Diudea
diudea@gmail.com
1
Babes-Bolyai University
Relative 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.
http://ijmc.kashanu.ac.ir/article_5200_d41d8cd98f00b204e9800998ecf8427e.pdf
Graph theory
Cluj matrix
Relative centricity
Centric connectivity index
eng
University of Kashan
Iranian Journal of Mathematical Chemistry
2228-6489
2008-9015
2012-02-01
3
1
45
53
10.22052/ijmc.2012.5201
5201
Distance-based topological indices of tensor product of graphs
M. Nadjafi-Arani
mjnajafiarani@gmail.com
1
H. Khodashenas
khodashenas@kashanu.ac.ir
2
University of Kashan
University of Kashan
Let 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.
http://ijmc.kashanu.ac.ir/article_5201_d41d8cd98f00b204e9800998ecf8427e.pdf
tensor product
Wiener type invariant
Strongly triangular graph
eng
University of Kashan
Iranian Journal of Mathematical Chemistry
2228-6489
2008-9015
2012-02-01
3
1
55
65
10.22052/ijmc.2012.5209
5209
On the edge reverse Wiener indices of TUC4C8(S) nanotubes
A. Mahmiani
1
O. Khormali
2
A. Iranmanesh
iranmanesh@modares.ac.i
3
Payame Noor University
Tarbiat Modares University
Tarbiat Modares University
The 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.
http://ijmc.kashanu.ac.ir/article_5209_2f3c005d91db72be764cbb2f564ab33e.pdf
Molecular graph
Molecular matrix
Reveres Wiener indices
Edge reverse
Wiener indices
Distance of graph
line graph
Nanotubes
eng
University of Kashan
Iranian Journal of Mathematical Chemistry
2228-6489
2008-9015
2012-02-01
3
1
67
72
10.22052/ijmc.2012.5219
5219
Computing the Szeged index of 4,4 ׳-bipyridinium dendrimer
A. ARJOMANFAR
1
N. GHOLAMI
2
Shar-e-Ray Branch,Iran
Islamic Azad University, Izeh Branch, Khouzestan, Iran
Let 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.
http://ijmc.kashanu.ac.ir/article_5219_15c1f93cb85459d4528af627573c4871.pdf
Molecular graph
Dendrimer
Szeged index
4
4 ׳-Bipyridinium
eng
University of Kashan
Iranian Journal of Mathematical Chemistry
2228-6489
2008-9015
2012-02-01
3
1
73
80
10.22052/ijmc.2012.5220
5220
Some topological indices of graphs and some inequalities
M. MOGHARRAB
1
B. KHEZRI–MOGHADDAM
2
Persian Gulf University, Bushehr, Iran
Payame Noor University, Shiraz, Iran
Let 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.
http://ijmc.kashanu.ac.ir/article_5220_4344681665ed2139c3c285378453c9ad.pdf
Topological index
Eccentric connectivity
Geometric–arithmetic
Zagreb index
Cauchy–Schwarz inequality
eng
University of Kashan
Iranian Journal of Mathematical Chemistry
2228-6489
2008-9015
2012-02-01
3
1
81
94
10.22052/ijmc.2012.5221
5221
Automatic graph construction of periodic open tubulene ((5,6,7)3) and computation of its Wiener, PI, and Szeged indices
A. YOOSOFAN
1
M. NAMAZI−FARD
2
University of Kashan, Iran
University of Kashan, Iran
The 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.
http://ijmc.kashanu.ac.ir/article_5221_7e3ced6b5d005ed92da509c1085bd32a.pdf
Open tubulene
Topological index
Szeged index
Wiener index
PI index