فهرست مطالب

  • Volume:8 Issue:1, 2018
  • تاریخ انتشار: 1396/12/18
  • تعداد عناوین: 6
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  • K Pattabiraman , T Suganya Pages 1-12

    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.

    Keywords: topological index, Line graph, joint graph
  • Masoumeh Ghalkhani , Maryam Salehi, Javad Beheshtian Pages 13-18

    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

    Keywords: Mercarzole, Adsorption, DFT, Functionalized carbon nanotube
  • Rachanna Kanabur Pages 19-25

    Recently [18], Shigehalli and Kanabur have introduced two new topological indices namely, AG2index 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

    Keywords: Molecular graph, Arithmetic-Geometric index (AG2 index), SK3 index, Sanskruti index, Armchair polyhex nanotube
  • bünyamin ?ahin , abdulgani ?ahin Pages 27-31

    In this paper domination number, vertex-edge domination number and edge-vertex domination are calculated for regular dendrimers.

    Keywords: domination, vertex-edge domination, edge-vertex domination
  • Modjtaba Ghorbani Pages 33-40

    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

    Keywords: Wiener index, Szeged index, PI index, vertex-PI index
  • Zaryab Hussainorcid , Shumaila Sabar Pages 41-53

    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

    Keywords: Chemical Graph Theory, Titania Nanotubes, Multiplicative Topological Indices, Degree based topological indices