Computing the Szeged and PI Indices of VC5C7[p,q] and HC5C7[p,q] Nanotubes

نویسندگان

  • Ali Iranmanesh
  • Yaser Alizadeh
  • Bahman Taherkhani
چکیده

In this paper we give a GAP program for computing the Szeged and the PI indices of any graph. Also we compute the Szeged and PI indices of VC(5)C(7) [ p,q] and HC(5)C(7) [ p,q] nanotubes by this program.

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Use of Structure Codes (Counts) for Computing Topological Indices of Carbon Nanotubes: Sadhana (Sd) Index of Phenylenes and its Hexagonal Squeezes

Structural codes vis-a-vis structural counts, like polynomials of a molecular graph, are important in computing graph-theoretical descriptors which are commonly known as topological indices. These indices are most important for characterizing carbon nanotubes (CNTs). In this paper we have computed Sadhana index (Sd) for phenylenes and their hexagonal squeezes using structural codes (counts). Sa...

متن کامل

ON DISTANCE-BASED TOPOLOGICAL INDICES OF HC5C7[4p,8] NANOTUBES

Let G be a connected graph, nu(e) is the number of vertices of G lying closer to u and nv(e) is the number of vertices of G lying closer to v. Then the Szeged index of G is defined as the sum of nu(e)nv(e), over edges of G.. The PI index of G is a Szeged-like topological index defined as the sum of [mu(e)+ mv(e)], where mu(e) is the number of edges of G lying closer to u than to v, mv(e) is the...

متن کامل

COMPUTING WIENER INDEX OF HAC5C7[p, q] NANOTUBES BY GAP PROGRAM

The Wiener index of a graph Gis defined as W(G) =1/2[Sum(d(i,j)] over all pair of elements of V(G), where V (G) is the set of vertices of G and d(i, j) is the distance between vertices i and j. In this paper, we give an algorithm by GAP program that can be compute the Wiener index for any graph also we compute the Wiener index of HAC5C7[p, q] and HAC5C6C7[p, q] nanotubes by this program.

متن کامل

Topological relationship between electric quadrupole, hexadecapole moments, energy and Padmakar–Ivan index in armchair polyhex nanotubes TUVC6[2p,q]

The electric quadrupole, hexadecapole moments, energy (kJmol -1) for some armchair polyhex carbon nanotubes TUVC6[2p,q] are performed by Beck-Lee-Yang-Parr [B3LYP] on 3-21G basis set using the standard procedure indices GAUSSIAN 98, then the Padmakar-Ivan (PI) index of TUVC6[2p,q] nanotubes in the terms of their circumference (2p) and lengh (q) is calculated and the relationships between the Pa...

متن کامل

ON THE SZEGED INDEX OF NON-COMMUTATIVE GRAPH OF GENERAL LINEAR GROUP

Let $G$ be a non-abelian group and let $Z(G)$ be the center of $G$. Associate with $G$ there is agraph $Gamma_G$ as follows: Take $Gsetminus Z(G)$ as vertices of$Gamma_G$ and joint two distinct vertices $x$ and $y$ whenever$yxneq yx$. $Gamma_G$ is called the non-commuting graph of $G$. In recent years many interesting works have been done in non-commutative graph of groups. Computing the clique...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:
  • International Journal of Molecular Sciences

دوره 9  شماره 

صفحات  -

تاریخ انتشار 2008