University of Kashan
Iranian Journal of Mathematical Chemistry
2228-6489
2008-9015
2
Issue 1 (Special Issue on the Occasion of Mircea V. Diudea's Sixtieth Birthday)
2011
04
01
Hyperdiamonds: a Topological View
7
29
EN
M.
V.
DIUDEA
“Babes-Bolyai” University, Romania
A.
ILIĆ
University of Niš,
Serbia
M.
MEDELEANU
University “Politehnica”
Timisoara, Romania
10.22052/ijmc.2011.5162
Hyperdiamonds are covalently bonded fullerenes in crystalline forms, more or less related to diamond, and having a significant amount of sp3 carbon atoms. Design of several hypothetical crystal networks was performed by using our original software programs CVNET and NANO-STUDIO. The topology of the networks is described in terms of the net parameters and several counting polynomials, calculated by NANO-STUDIO, OMEGA and PI software programs.
Hyperdiamond,Crystal-like network,Molecular topology,Counting polynomial
http://ijmc.kashanu.ac.ir/article_5162.html
http://ijmc.kashanu.ac.ir/article_5162_9974b6f2617e306680ac7ca9131b449a.pdf
University of Kashan
Iranian Journal of Mathematical Chemistry
2228-6489
2008-9015
2
Issue 1 (Special Issue on the Occasion of Mircea V. Diudea's Sixtieth Birthday)
2011
04
01
Evaluation of the Mineral Contents in Fish Meal by FT- NIR using PLS and Kernel PLS
31
38
EN
S.
MASOUM
University of Kashan,
I. R. IRAN
A.
ALISHAHI
Department of Fisheries and Environmental Science, Tehran University, Karaj, IRAN
M.
SHEKARCHI
Tehran University, IRAN
H.
FARAHMAND
Sanitary Ministry of Iran, IRAN
10.22052/ijmc.2011.5163
In the present work we study the use of Fourier transform near infrared spectroscopy (FTNIRS) technique to analysis the calcium (Ca), phosphorus (P) and copper (Cu) contents of fish meal. The regression methods employed were partial least squares (PLS) and kernel partial least squares (KPLS). The results showed that the efficiency of KPLS was better than PLS. As a whole, the application of FT-NIRS with PLS and KPLS was as a suitable option for replacing the routine chemical analysis to assess the mineral content in fish meal, allowing immediate control of the fish meal without prior sample treatment or destruction.
Calcium,Phosphorus,Copper,Fish meal,FT-NIRS,KPLS
http://ijmc.kashanu.ac.ir/article_5163.html
http://ijmc.kashanu.ac.ir/article_5163_28dfda8b8cd531f153602fa22ca08baa.pdf
University of Kashan
Iranian Journal of Mathematical Chemistry
2228-6489
2008-9015
2
Issue 1 (Special Issue on the Occasion of Mircea V. Diudea's Sixtieth Birthday)
2011
04
01
Eccentric and Total Eccentric Connectivity Indices of Caterpillars
39
44
EN
KH.
FATHALIKHANI
University of Tehran, Tehran, Iran
H.
YOUSEFI-AZARI
University of Tehran, Iran
10.22052/ijmc.2011.5164
Consider a simple connected graph with the vertex set . The eccentric and total connectivity indices of are defined as Σ and Σ , respectively. Here, denotes the degree of a vertex and is its eccentricity. In this paper, these two indices are calculated for a given arbitrary caterpillar.
eccentric connectivity index,Total eccentricity index,Caterpillar
http://ijmc.kashanu.ac.ir/article_5164.html
http://ijmc.kashanu.ac.ir/article_5164_5eab17f138e0f73210f23c5b0adcbc49.pdf
University of Kashan
Iranian Journal of Mathematical Chemistry
2228-6489
2008-9015
2
Issue 1 (Special Issue on the Occasion of Mircea V. Diudea's Sixtieth Birthday)
2011
04
01
Energy and Wiener Index of Zero-Divisor Graphs
45
51
EN
M.
R.
AHMADI
University
of Kashan, I. R. Iran
R.
JAHANI-NEZHAD
University
of Kashan, I. R. Iran
10.22052/ijmc.2011.5166
Let R be a commutative ring and (R) be its zerodivisor graph. In this article, we study Wiener index and energy of Γ(Zn ) where n = pq or n = p2q and p, q are primes. A MATLAB code for our calculations is also presented.
zero-divisor graph,Energy,Wiener index
http://ijmc.kashanu.ac.ir/article_5166.html
http://ijmc.kashanu.ac.ir/article_5166_d13709db3d3b7a37193dd283d8f6696f.pdf
University of Kashan
Iranian Journal of Mathematical Chemistry
2228-6489
2008-9015
2
Issue 1 (Special Issue on the Occasion of Mircea V. Diudea's Sixtieth Birthday)
2011
04
01
The Clar Number of Fullerene C24n and Carbon Nanocone CNC4[n]
53
59
EN
M.
GHORBANI
Shahid Rajaee Teacher Training
University, I. R. Iran
E.
NASERPOUR
Shahid Rajaee Teacher Training
University, I. R. Iran
10.22052/ijmc.2011.5168
A fullerene graph is a 3−connected planar graph whose faces are pentagons and hexagons. The Clar number of a fullerene is the maximum size of sextet patterns, the sets of disjoint hexagons which are all M-alternating for a Kekulé structure M of F. An exact formula of Clar number of some fullerene graphs and a class of carbon nanocones are obtained in this paper.
Fullerene,Clar number,Sextet pattern,Carbon nanotube,Kekulé structure
http://ijmc.kashanu.ac.ir/article_5168.html
http://ijmc.kashanu.ac.ir/article_5168_497b64ea009a4954544694dc1fdc09b7.pdf
University of Kashan
Iranian Journal of Mathematical Chemistry
2228-6489
2008-9015
2
Issue 1 (Special Issue on the Occasion of Mircea V. Diudea's Sixtieth Birthday)
2011
04
01
The Eccentric Connectivity Index of Some Special Graphs
61
65
EN
M.
A.
IRANMANESH
Yazd University, Iran
R.
HAFEZIEH
Yazd University, Iran
10.22052/ijmc.2011.5169
If is a connected graph with vertex set , then the eccentric connectivity index of , , is defined as Σ deg where deg is the degree of a vertex and is its eccentricity. Let A, B and C are families of graphs made by joining to , made by putting instead of each vertex in and made by putting instead of each vertex in , respectively. In this paper we compute the eccentric connectivity index of these families of graphs.
eccentric connectivity index,graph
http://ijmc.kashanu.ac.ir/article_5169.html
http://ijmc.kashanu.ac.ir/article_5169_5b44cd85146f77aa944ddc562bf0add2.pdf
University of Kashan
Iranian Journal of Mathematical Chemistry
2228-6489
2008-9015
2
Issue 1 (Special Issue on the Occasion of Mircea V. Diudea's Sixtieth Birthday)
2011
04
01
Further Results on Wiener Polarity Index of Graphs
67
70
EN
A.
BEHMARAM
University of Tehran,
I. R. Iran
H.
YOUSEFI-AZARI
Institute for Research in Fundamental Sciences (IPM), I. R. Iran
10.22052/ijmc.2011.5170
The Wiener polarity index Wp(G) of a molecular graph G of order n is the number of unordered pairs of vertices u, v of G such that the distance d(u,v) between u and v is 3. In an earlier paper, some extremal properties of this graph invariant in the class of catacondensed hexagonal systems and fullerene graphs were investigated. In this paper, some new bounds for this graph invariant are presented. A relationship between Wiener and Wiener polarity index of some classes of graphs are also presented.
Fullerene graph,Wiener index,Wiener polarity index
http://ijmc.kashanu.ac.ir/article_5170.html
http://ijmc.kashanu.ac.ir/article_5170_ec5326da713aad93a04c35d905351ba2.pdf
University of Kashan
Iranian Journal of Mathematical Chemistry
2228-6489
2008-9015
2
Issue 1 (Special Issue on the Occasion of Mircea V. Diudea's Sixtieth Birthday)
2011
04
01
Hosoya Polynomial of an Infinite Family of Dendrimer Nanostar
71
79
EN
CH.
ESLAHCHI
Shahid Beheshti University, Iran
S.
ALIKHANI
Yazd University, Iran
M.
H.
AKHBARI
Islamic Azad University, Estahban Branch, Estahban, Iran
10.22052/ijmc.2011.5171
Let G be a simple graph. The Hosoya polynomial of G is ( , ) , ( , ) = { , } ( ) xd u v H G x u v V G where d(u,v) denotes the distance between vertices u and v . The dendrimer nanostar is a part of a new group of macromolecules. In this paper we compute the Hosoya polynomial for an infinite family of dendrimer nanostar. As a consequence we obtain the Wiener index and the hyper-Wiener index of this dendrimer.
Hosoya polynomial,Wiener index,Dendrimer nanostar,diameter
http://ijmc.kashanu.ac.ir/article_5171.html
http://ijmc.kashanu.ac.ir/article_5171_d7afdc71a1f11f23e5c5555ed15965bf.pdf
University of Kashan
Iranian Journal of Mathematical Chemistry
2228-6489
2008-9015
2
Issue 1 (Special Issue on the Occasion of Mircea V. Diudea's Sixtieth Birthday)
2011
04
01
On the Spectra of Reduced Distance Matrix of Thorn Graphs
81
87
EN
A.
HEYDARI
Arak Branch, Islamic Azad University, Arak, Iran
10.22052/ijmc.2011.5172
Let G be a simple connected graph and {v1, v2, …, vk} be the set of pendent (vertices of degree one) vertices of G. The reduced distance matrix of G is a square matrix whose (i,j)– entry is the topological distance between vi and vj of G. In this paper, we obtain the spectrum of the reduced distance matrix of thorn graph of G, a graph which obtained by attaching some new vertices to pendent vertices of G. As an application we compute the spectrum of reduced distance matrix for some dendrimer graphs.
Reduced distance matrix,spectrum,Thorn graph,Dendrimer graphs
http://ijmc.kashanu.ac.ir/article_5172.html
http://ijmc.kashanu.ac.ir/article_5172_53f42679383c642229cfeea0f630e490.pdf
University of Kashan
Iranian Journal of Mathematical Chemistry
2228-6489
2008-9015
2
Issue 1 (Special Issue on the Occasion of Mircea V. Diudea's Sixtieth Birthday)
2011
04
01
On the General Sum–Connectivity Co–Index of Graphs
89
98
EN
G.
SU
Beijing Institute of Technology, P. R. China
L.
XU
Changji University, P. R. China
10.22052/ijmc.2011.5173
In this paper, a new molecular-structure descriptor, the general sum–connectivity co–index is considered, which generalizes the first Zagreb co–index and the general sum– connectivity index of graph theory. We mainly explore the lower and upper bounds in terms of the order and size for this new invariant. Additionally, the Nordhaus–Gaddum–type result is also represented.
General sum–connectivity co–index,First Zagreb co–index,Lower and upper bounds
http://ijmc.kashanu.ac.ir/article_5173.html
http://ijmc.kashanu.ac.ir/article_5173_d154da6922ebac74f4671c7b5af8d008.pdf
University of Kashan
Iranian Journal of Mathematical Chemistry
2228-6489
2008-9015
2
Issue 1 (Special Issue on the Occasion of Mircea V. Diudea's Sixtieth Birthday)
2011
04
01
Distance Property of Fullerenes
99
107
EN
A.
GRAOVAC
University of Split, Croatia
O.
ORI
Via Casilina Rome, Italy
M.
FAGHANI
University of Kashan, I. R. Iran
A.
R.
ASHRAFI
University of Kashan, I. R. Iran
10.22052/ijmc.2011.5174
Fullerenes are closed−cage carbon molecules formed by 12 pentagonal and n/2 – 10 hexagonal faces, where n is the number of carbon atoms. Patrick Fowler in his lecture in MCC 2009 asked about the Wiener index of fullerenes in general. In this paper we respond partially to this question for an infinite class of fullerenes with exactly 10n carbon atoms. Our method is general and can be applied to fullerene graphs with centrosymmetric adjacency matrix.
Fullerene,Wiener index,Centrosymmetric matrix
http://ijmc.kashanu.ac.ir/article_5174.html
http://ijmc.kashanu.ac.ir/article_5174_a4f7e3d101aca42bffedccebfe768ede.pdf
University of Kashan
Iranian Journal of Mathematical Chemistry
2228-6489
2008-9015
2
Issue 1 (Special Issue on the Occasion of Mircea V. Diudea's Sixtieth Birthday)
2011
04
01
Computing Some Topological Indices of Tensor Product of Graphs
109
118
EN
Z.
YARAHMADI
Khorramabad Branch, Islamic Azad University, I. R. Iran
10.22052/ijmc.2011.5175
A topological index of a molecular graph G is a numeric quantity related to G which is invariant under symmetry properties of G. In this paper we obtain the Randić, geometricarithmetic, first and second Zagreb indices , first and second Zagreb coindices of tensor product of two graphs and then the Harary, Schultz and modified Schultz indices of tensor product of a graph G with complete graph of order n are obtained.
Topological index,tensor product
http://ijmc.kashanu.ac.ir/article_5175.html
http://ijmc.kashanu.ac.ir/article_5175_c563e2473a6d4006667114ee0582be34.pdf