Density Functional Theory (DFT) with B3LYP hybrid exchange-correlation functional and 3-21G basis set and semi-empirical methods (PM3) were used to calculate the energies (total energy, binding energy (Eb), molecular orbital energy (EHOMO-ELUMO), heat of formation (?Hf)) and vibrational spectra for some Tellurium (IV) compounds containing cycloctadienyl group which can use as ligands with some transition metals or essential metals of periodic table at optimized geometrical structures.
The other day in the Holy Quran and the four Gospels
Research Summary
It highlights the importance of assessing the demand for money function in Iraq through the understanding of the relationship between him and affecting the variables by searching the stability of this function and the extent of their influence in the Iraqi dinar exchange rate in order to know the amount of their contribution to the monetary policies of the Iraqi economy fee, as well as through study behavior of the demand for money function in Iraq and analyze the determinants of the demand for money for the period 1991-2013 and the impact of these determinants in the demand for money in Iraq.
And that the problem that we face is how to estimate the total demand for money in
... Show MorePorosity and permeability are the most difficult properties to determine in subsurface reservoir characterization. The difficulty of estimating them arising from the fact that porosity and permeability may vary significantly over the reservoir volume, and can only be sampled at well location. Secondly, the porosity values are commonly evaluated from the well log data, which are usually available from most wells in the reservoir, but permeability values, which are generally determined from core analysis, are not usually available. The aim of this study is: First, to develop correlations between the core and the well log data which can be used to estimate permeability in uncored wells, these correlations enable to estimate reservoir permeabil
... Show MoreLithium doped Nickel-Zinc ferrite material with chemical formula Ni0.9−2x Zn0.1LixFe2+xO4, where x is the ratio of lithium ions Li+ (x = 0, 0.01, 0.02, 0.03 and 0.04) prepared by using sol-gel auto combustion technique. X-ray diffraction results showed that the material have pure cubic spinal structure with space group Fd-3m. The experimental values of the lattice constant (aexp) were decreased from 8.39 to 8.35 nm with doped Li ions. It was found that the decreasing of the crystallite size with addition of lithium ions concentration. The radius of tetrahedral (rtet) and octahedral (roct) site were computed from cation distribution. SEM images have been taken to show the morphology of compound. The dielectric parameters [dissipation fa
... Show MoreThe present paper deals with prepared of ternary Se80-xTe20Gex system alloys and thin films. The XRD analysis improved that the amorphous structure of alloys and thin films for ternary Se80-xTe20Gex (at x=10and 20at.%Ge) which prepared by thermal evaporation techniques with thickness 250 nm. The optical energy gap measurements show that the optical energy gap decreases with increasing of (Ge) content from (1.7 to 1.47 eV)
It is found that the optical constants, such as refractive
index ,extinction coefficient, real and imaginary dielectric
constant are non systematic with increasing of Ge contents
and annealing temperatures
Natural bitumen (NB) is a highly precious material and has drawn increasing attention due to its unique properties, especially since it is available in large quantities and has been used in limited fields. In this research, the exploitation of NB from sulfur springs as an alternative energy resource in the production of asphalt pavement is evaluated. It can be concluded from the experimental results that the chemical composition and surface morphology of NB samples are different from those of base asphalt. Besides, the rheological properties of virgin NB are not sufficient for paving work. To overcome this obstacle, NB from five different springs is modified with limestone filler (LSF) to enhance its properties. LSF is a natural material an
... Show MoreThis study, establishes two stochastic monotonicity results concerning the run length of an upper one –sided Exponentially Weighted Moving Average (EWMA) control charts, based on the logarithm of the sample variance, for monitoring a process standard deviation, these properties cast interesting light on the control chart performance, and their extension to other one –sided EWMA control charts.