The study of topological indices - graph invariants that can be used for describing and predicting physicochemical or pharmacological properties of organic compounds - is currently one of the most active research fields in chemical graph theory. In this paper we study the Schultz index and find a relation with the Wiener index of the armchair polyhex nanotubes TUV C(6)[2p; q]. An exact expressi...

in this study, kinetics and mechanism of the sulfur dioxide adsorption on the single-walled carbon nanotubes (cnt) are investigated. three single-walled carbon nanotubes, including the armchair (6,6), chiral (6,5) and zigzag (6,0) cnts were chosen as the models and the different orientations of so2 molecule relative to the cnt axis were considered. the b3lyp functional within the 6-31g(d) basis...

We explore the possibility and potential benefit of rolling a ${\mathrm{Si}}_{2}\mathrm{BN}$ sheet into single-walled nanotubes (NTs). Using density functional theory (DFT), we consider both structural stability impact on nature chemical bonding conduction. The structure is similar to carbon NTs hexagonal boron-nitride (hBN) armchair zigzag configurations with varying diameters. these confirmed...

Silicon carbide nanotube (SiCNT) come forward in the great variety of nanotubes with higher durability until 1600 oC (in air) while carbon can stay stable 600 air). First five buckling loads single SiCNT placed between source and drain metal electrodes nano sized field effect transistors (FET) is investigated using two different molecular dynamics methods. L.A.M.M.P.S. software Gromacs package ...

Radial solitons are investigated in armchair carbon nanotubes using a generalized Lennard-Jones potential. The radial solitons are found in terms of moving kink defects whose velocity obeys a dispersion relation. Effects of lattice discreteness on the shape of kink defects are examined by estimating the Peierls stress. Results suggest that the typical size for an unpinned kink phase is of the o...

We consider the Schrödinger operator with a periodic potential on a quasi 1D continuous periodic model of armchair nanotubes in R3 in a uniform magnetic field (with amplitude B ∈ R), which is parallel to the axis of the nanotube. The spectrum of this operator consists of an absolutely continuous part (spectral bands separated by gaps) plus an infinite number of eigenvalues with infinite multipl...

Michael Tye’s response to my “Grain” (Block 2012) and “Windows” (Block 2013) raises general metaphilosophical issues about the value of intuitions and judgments about one’s perceptions and the relations of those intuitions and judgments to empirical research, as well as specific philosophical issues about the relation between seeing, attention and de re thought. I will argue that Tye’s appeal t...

The degree distance of a graph which is a degree analogue of the Wiener index of the graph. Let G = TUV C6[2p, q] be the carbon nanotubes covered by C6, formulas for calculating the degree distance of armchair polyhex nanotubes TUV C6[2p, q] are provided. Mathematics Subject Classification: 05C05, 05C12