Journal of Mathematical NanoscienceJournal of Mathematical Nanoscience
http://jmathnano.sru.ac.ir/
Wed, 21 Nov 2018 12:24:16 +0100FeedCreatorJournal of Mathematical Nanoscience
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Feed provided by Journal of Mathematical Nanoscience. Click to visit.Edge version of some degree based topological descriptors of graphs
http://jmathnano.sru.ac.ir/article_721_160.html
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.Thu, 31 May 2018 19:30:00 +0100On multiplicative degree based topological indices of single-walled titania nanotubes
http://jmathnano.sru.ac.ir/article_941_0.html
A topological index is a special number which describes the whole structure of a graph. These topological indices are categorized on the basis of their logical roots from topological invariant. A topological index which depends on the degree of a vertex is called degree based topological index. In this paper we will calculate some degree based multiplicative topologial indices of single-walled Titania nanotubes.Thu, 19 Jul 2018 19:30:00 +0100DFT studies of functionalized carbon nanotubes as nanoadsorbent of a benzimidazole fungicide ...
http://jmathnano.sru.ac.ir/article_828_160.html
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.Thu, 31 May 2018 19:30:00 +0100On certain degree-based topological indices of armchair polyhex nanotubes
http://jmathnano.sru.ac.ir/article_841_160.html
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.Thu, 31 May 2018 19:30:00 +0100On dominaton type invariants of regular dendrimer
http://jmathnano.sru.ac.ir/article_842_160.html
In this paper domination number, vertex-edge domination number and edge-vertex domination are calculated for regular dendrimers.Thu, 31 May 2018 19:30:00 +0100Some GAP programs for computing the topological indices
http://jmathnano.sru.ac.ir/article_877_160.html
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.Thu, 31 May 2018 19:30:00 +0100On multiplicative degree based topological indices of singlewalled titania nanotubes
http://jmathnano.sru.ac.ir/article_944_160.html
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.Sat, 30 Jun 2018 19:30:00 +0100