Edge version of some degree based topological descriptors of graphs
K
Pattabiraman
Annamalai University
author
T
Suganya
Annamalai University
author
text
article
2018
eng
In this paper, we study the edge version of some degree based topological indices such as general sum-connectivity index, Randic index, inverse sum indeg index, symmetric division deg index, augmenting Zagreb index and harmonic polynomial for joint graphs and certain graph operations.
Journal of Mathematical Nanoscience
Shahid Rajaee Teacher Training University
2538-2314
8
v.
1
no.
2018
1
12
http://jmathnano.sru.ac.ir/article_721_76f9f935161be7d7a375c6cb92d1ab3c.pdf
dx.doi.org/10.22061/jmns.2018.3152.1025
DFT studies of functionalized carbon nanotubes as nanoadsorbent of a benzimidazole fungicide compound
Masoumeh
Ghalkhani
Department of Chemistry, Faculty of Science, Shahid Rajaee teacher Training University
author
Maryam
Salehi
Shahid Rajaee Teacher Training University
author
Javad
Beheshtian
Shahid Rajaee Teacher Training University
author
text
article
2018
eng
Using density functional theory calculations, we investigated properties of a functionalized carbon nanotube with one mercarzole molecule as a benzimidazole fungicide. Three different configurations are possible depending on the type of functional group used in the structure of mercarzole. We investigated different electronic properties for these configurations such as adsorption energy, band gap energy and charge transfer effects. As a consequence of structural properties the adsorption height and the most stable adsorption configuration are also discussed. It has been found that a mercarzole molecule is adsorbed on the tube surface with adsorption energies in the range of −0.01 to −0.67 eV, and their relative magnitude order is found as follows: imin group > ester group > amin group. Obtained results reveal important features of the adsorption mechanism of mercarzole molecules onto the functionalized carbon nanotubes. This study can be used in farming researches in order to improving cultivation and wellbeing human.
Journal of Mathematical Nanoscience
Shahid Rajaee Teacher Training University
2538-2314
8
v.
1
no.
2018
13
18
http://jmathnano.sru.ac.ir/article_828_0e17cdb53e314a84e0ecb532ebd134d1.pdf
dx.doi.org/10.22061/jmns.2018.3612.1031
On certain degree-based topological indices of armchair polyhex nanotubes
Rachanna
Kanabur
RANI CHANNAMMA University, BELAGAVI-591156
author
text
article
2018
eng
Recently [18], Shigehalli and Kanabur have introduced two new topological indices namely, AG2 index and SK3 index. Hosamani [14], has studied a novel topological index, namely the Sanskruti index S (G) of a molecular graph G. In this paper, formula for computing the armchair polyhex nanotube TUAC6 [m, n] family is given.
Journal of Mathematical Nanoscience
Shahid Rajaee Teacher Training University
2538-2314
8
v.
1
no.
2018
19
25
http://jmathnano.sru.ac.ir/article_841_139765007c8373caf852053edd24f93a.pdf
dx.doi.org/10.22061/jmns.2017.2897.1022
On dominaton type invariants of regular dendrimer
Bünyamin
Sahin
bayburt university, turkey
author
Abdulgani
Sahin
Ağrı Ibrahim &vCcedil;eçEn University
author
text
article
2018
eng
In this paper domination number, vertex-edge domination number and edge-vertex domination are calculated for regular dendrimers.
Journal of Mathematical Nanoscience
Shahid Rajaee Teacher Training University
2538-2314
8
v.
1
no.
2018
27
31
http://jmathnano.sru.ac.ir/article_842_a89094b6886a570f54f31d3302d893fb.pdf
dx.doi.org/10.22061/jmns.2018.3409.1029
Some GAP programs for computing the topological indices
Modjtaba
Ghorbani
Department of Mathematics, Faculty of Science, Shahid Rajaee Teacher Training University
author
text
article
2018
eng
A topological index is a numerical invariant associated with a chemical graph. In this paper we introduce some GAP programs for computing well-known topological indices.
Journal of Mathematical Nanoscience
Shahid Rajaee Teacher Training University
2538-2314
8
v.
1
no.
2018
33
40
http://jmathnano.sru.ac.ir/article_877_50ef9523d29e840a2c53166151e9d9d0.pdf
dx.doi.org/10.22061/jmns.2018.4261.1037
On multiplicative degree based topological indices of singlewalled titania nanotubes
Zaryab
Hussain
Department of Mathematics, University of Central Punjab, Faisalabad-38000, Pakistan.
author
Shumaila
Sabar
Department of Mathematics, Government CollegeWomen University Faisalabad, Faisalabad-38000, Pakistan
author
text
article
2018
eng
Let G be a graph, the distance d(u,v) between two vertices u and v of G is the minimum length of the paths connecting them. The aim of this paper is computing the distance matrix of infinite familiy of fullerene graph A10n.
Journal of Mathematical Nanoscience
Shahid Rajaee Teacher Training University
2538-2314
8
v.
1
no.
2018
41
54
http://jmathnano.sru.ac.ir/article_944_9d49a5fc136403a5e5bb02bfcb1f51dd.pdf
dx.doi.org/10.22061/jmns.2018.4265.1038