one of the useful indices in molecular topology is randić index. the alternative double bonds andconjugation in the polyene compounds are one of the main properties in these compounds. someof the molecular orbital and structural properties refer to this specialty, such as: molar absorptioncoefficient (εmax) , electrical conductivity and difference energy level of the homo and lumoorbitals, etc....

The high pressure behavior of the structural and electronic properties of KC1 is studied with use of the density functional pseudopotential method within local-density approximation. Atzero pressure, the rocksalt phase is found to be lower in energy than CsCl structure. However, we predict a phase transition into CsCI structure at a pressure of about 1.5 GPa. The calculated ground state pro...

     In this work, for the first time, the rheological properties of nanofluids of lanthania nanoparticles (NPs) in ethylene glycol (EG) as functions of shear rate, volume fraction, and temperature were measured. The results showed that both EG and the nanofluids behave as non-Newtonian fluids at lower shear rates and transform to Newtonian fluids at higher shear rates. The values of viscosity ...

In this paper dynamic damping properties of a nominated flexible structural adhesive have been identified using an extended-direct modal based joint identification method. It has been revealed that damping characteristics of adhesive are correlated to both frequency and mode shape. Young’s and shear moduli increase with frequency but damping on the other hand, decrease. The results showed that ...

ABSTRACT: In the present study, Persian gum, an exudate gum which secrets from the mountain almond tree (Amygdalus scoparia Spach) from two different regions is evaluated by means of chemical and instrumental analysis (fractionated by solving in water and alkaline solutions at 0.1, 0.5 and 1 M and also Smith degradation) using HPLC, 1H–NMR and 13C–NMR spectroscopy’s. The total sugar and uronic ...

In this paper, the structural properties of the B30N20 molecule have been investigated at B3LYP/6-31G (d) level of theory. The optimized structure and electronic properties calculations for the studiedmolecule have been performed using Gaussian 03 program. A mathematical equation of third degreewas exploited for the correlation and exchange energy with the number of primitives. The NaturalBondi...

Single phase BiFeO3 (BFO) nanoparticles as a visible light photocatalyst were successfully synthesized by thermal decomposition of the glyoxylate precursor. The glyoxylate precursors were formed by the redox reaction between ethylene glycol and nitrate ions. The phase evolution, structure and optical properties of BFO nanoparticles were characterized by X-ray diffraction, electron microscopy an...

Zinc oxide (ZnO) is a promising metal oxide semiconductor with various applications, especially in the photocatalytic destruction of environmental pollutants. However, this nanoparticle has some limitations, such as poor dispersion, aggregation, and a wide energy gap. As such, the doping of metal oxide semiconductor has been strongly recommended. Addition of manganese (Mn) has proven effective ...

compressibility characteristics of fine-grained soils are often the most important parameters for settlement evaluation of the founded layers. the compression index which is the slope of virgin curve is usually for determination of settlement potential of fine grained soils. in this research, the effects of different physical and index properties of soil samples were investigated on compression...