Shahid Rajaee Teacher Training UniversityJournal of Mathematical Nanoscience2538-23148120180601Edge version of some degree based topological descriptors of graphs11272110.22061/jmns.2018.3152.1025ENKPattabiramanAnnamalai UniversityTSuganyaAnnamalai UniversityJournal Article20171208In 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.http://jmathnano.sru.ac.ir/article_721_733fa14df9b8d559d4613b1596edbe4e.pdfShahid Rajaee Teacher Training UniversityJournal of Mathematical Nanoscience2538-23148120180601DFT studies of functionalized carbon nanotubes as nanoadsorbent of a benzimidazole fungicide compound131882810.22061/jmns.2018.3612.1031ENMasoumehGhalkhaniDepartment of Chemistry, Faculty of Science, Shahid Rajaee teacher Training UniversityMaryamSalehiShahid Rajaee Teacher Training UniversityJavadBeheshtianShahid Rajaee Teacher Training UniversityJournal Article20180504Using 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.http://jmathnano.sru.ac.ir/article_828_2f91c8395dce8454881a9b732657155f.pdfShahid Rajaee Teacher Training UniversityJournal of Mathematical Nanoscience2538-23148120180601On certain degree-based topological indices of armchair polyhex nanotubes192584110.22061/jmns.2017.2897.1022ENRachannaKanaburRANI CHANNAMMA University, BELAGAVI-591156Journal Article20170908Recently [18], Shigehalli and Kanabur have introduced two new topological indices namely, AG2<br /> index and SK3 index. Hosamani [14], has studied a novel topological index, namely the Sanskruti<br /> index S (G) of a molecular graph G. In this paper, formula for computing the armchair polyhex<br /> nanotube TUAC6 [m, n] family is given.http://jmathnano.sru.ac.ir/article_841_e6e7335cf274a5a1295934a7f9f426e3.pdfShahid Rajaee Teacher Training UniversityJournal of Mathematical Nanoscience2538-23148120180601On dominaton type invariants of regular dendrimer273184210.22061/jmns.2018.3409.1029ENBünyaminSahinbayburt university, turkeyAbdulganiSahinAğrı Ibrahim &vCcedil;eçEn UniversityJournal Article20180308In this paper domination number, vertex-edge domination number and edge-vertex domination are calculated for regular dendrimers.http://jmathnano.sru.ac.ir/article_842_ecb94b57427f0c5a5fe5f473025a65e2.pdfShahid Rajaee Teacher Training UniversityJournal of Mathematical Nanoscience2538-23148120180601Some GAP programs for computing the topological indices334087710.22061/jmns.2018.4261.1037ENModjtabaGhorbaniDepartment of Mathematics, Faculty of Science, Shahid Rajaee Teacher Training UniversityJournal Article20180216A topological index is a numerical invariant associated with a chemical graph. In this<br /> paper we introduce some GAP programs for computing well-known topological indices.http://jmathnano.sru.ac.ir/article_877_50ef9523d29e840a2c53166151e9d9d0.pdfShahid Rajaee Teacher Training UniversityJournal of Mathematical Nanoscience2538-23148120180601On multiplicative degree based topological indices of singlewalled titania nanotubes415494410.22061/jmns.2018.4265.1038ENZaryabHussainDepartment of Mathematics, University of Central Punjab, Faisalabad-38000, Pakistan.0000-0002-9218-7735ShumailaSabarDepartment of Mathematics, Government CollegeWomen University Faisalabad, Faisalabad-38000, PakistanJournal Article20180216Let G be a graph, the distance d(u,v) between two vertices u and v of G is the minimum<br /> length of the paths connecting them. The aim of this paper is computing the distance matrix of infinite familiy of fullerene graph A10n.http://jmathnano.sru.ac.ir/article_944_ead826e45ba3913e5ffe99d0ce4fd57f.pdf