in the present work, the electronic properties of titanium were studied in three phases of α, β and ω using the density function theory (dft). the full potential augmented plane wave plus local orbital (flapw+lo) method was applied using the generalized gradient approximation. the calculated total energies showed that omega phase was more stable than the two other phases. the largest electrical...

Potassium Alanate is one of the goal candidates for hydrogen storage during past decades. In this report, initially the Density Functional Theory was applied to simulate the electronic and structural characteristic of the experimentally known KAlH4 complex hydride. The relaxation of unit cell parameters and atomic positions was performed until the total residual force reduced less than 0.001ev ...

In this study, the adsorption of 4-hydroxy phenyl-azobenzene on the surface of (4, 0) zigzag open-end boron nitride nanotube (BNNT) has been investigated by quantum calculations. In order to find the preferred adsorption site, different positions and orientations were considered. The impacts of donor-acceptor electron delocalization on the structural and electronic properties and reactivity of ...

the population density and spatial distribution pattern of empoasca decipiens paoli were etermined in tehran area, iran, during 2004-2005 on four species of common bean phaseolus vulgaris (l.) var. talash, lima bean p. lunatus (l.) savi ex hassk. var. sadaf, rice bean p. calcaratus roxb. var. goli and cowpea vigna sinensis (l.) var. parastoo. the higher and lower mean population densities of e....

population density and spatial distribution of thrips tabaci lindeman on seven soybean varieties (williams, tellar, sahar, dpx, l17, sari and zane) and one genotype (ks3494) were studied in tehran region, during 2007. the highest population density of the thrips per leaf was recorded on dpx and on ks3494 (0.810.05 and 0.800.05, respectively). the lowest population density was observed on l17 ...

the population densities and spatial distribution patterns of zetzellia pourmirzai khanjani and ueckermann and its preys cenopalpus irani dosse and bryobia rubrioculus (scheuten) were studied in a sprayed orchard in kermanshah, a western province of iran, from 31 may till 7 november, 2007. the interaction (density dependence) between the plant feeding mites and their predator was determined as ...

although knowing the time of the occurrence of the earthquakes is vital and helpful, unfortunately it is still unpredictable. by the way there is an urgent need to find a method to foresee this catastrophic event. there are a lot of methods for forecasting the time of earthquake occurrence. another method for predicting that is to know probability density function of time interval between earth...