In this work the strain energy of tetrahedrane and its nitrogen substituted molecules were calculated by isodesmic reaction method according to DFT quantum chemical fashion, the used basis set was 6-31G/B3-LYP, in addition all structures were optimized by RM1 semi-empirical method. From the obtained data we estimate an empirical equation connect between strain energy of the molecule with charge functions represented by dipole moment of the molecule plus accumulated charge density involved within the tetrahedron frame plus the number of nitrogen atoms. The results indicate the charge spreading factors by polarization and processes are the most important factors in decreasing the strain energy.
The CdS quantum dots were prepared by chemical reaction
of cadmium oleylamine (Cd –oleylamine complex) with the
sulfite-oleylamine (S-oleylamine) with 1:6 mole ratios. The
optical properties structure and spectroscopy of the product
quantum dot were studied. The results show the dependence of the
optical properties on the crystal dimension and the formation of
the trap states in the energy band gap.
We dealt with the nature of the points under the influence of periodic function chaotic functions associated functions chaotic and sufficient conditions to be a very chaotic functions Palace
In this paper introduce some generalizations of some definitions which are, closure converge to a point, closure directed toward a set, almost ω-converges to a set, almost condensation point, a set ωH-closed relative, ω-continuous functions, weakly ω-continuous functions, ω-compact functions, ω-rigid a set, almost ω-closed functions and ω-perfect functions with several results concerning them.
This paper is concerned with introducing an explicit expression for orthogonal Boubaker polynomial functions with some important properties. Taking advantage of the interesting properties of Boubaker polynomials, the definition of Boubaker wavelets on interval [0,1) is achieved. These basic functions are orthonormal and have compact support. Wavelets have many advantages and applications in the theoretical and applied fields, and they are applied with the orthogonal polynomials to propose a new method for treating several problems in sciences, and engineering that is wavelet method, which is computationally more attractive in the various fields. A novel property of Boubaker wavelet function derivative in terms of Boubaker wavelet themsel
... Show MoreWe introduce some new generalizations of some definitions which are, supra closure converge to a point, supra closure directed toward a set, almost supra converges to a set, almost supra cluster point, a set supra H-closed relative, supra closure continuous functions, supra weakly continuous functions, supra compact functions, supra rigid a set, almost supra closed functions and supra perfect functions. And we state and prove several results concerning it
Globally, buildings use about 40% of energy. Many elements, such as the physical properties of the structure, the efficiency of the cooling and heating systems, the activity of the occupants, and the building’s sustainability, affect the energy consumption of a building. It is really difficult to predict how much energy a building will need. To improve the building’s sustainability and create sustainable energy sources to reduce carbon dioxide emissions from fossil fuel combustion, estimating the building's energy use is necessary. This paper explains the energy consumed in the lecture building of the Al-Khwarizmi College of Engineering, University of Baghdad (UOB), Baghdad, Iraq. The weather data and the building construction informati
... Show MoreContents IJPAM: Volume 116, No. 3 (2017)
Colloidal silver nanoparticles were prepared by single step green synthesis using aqueous extracts of the leaves of thyme as a function of different molar concentration of AgNO3 (1,2,3,4 mM(. The Field Emission Scanning Electron Microscopy (FESEM), UV-Visible and X-ray diffraction (XRD) were used to characterize the resultant AgNPs. The surface Plasmon resonance was observed at wavelength of 444 nm. The four intensive peaks of XRD pattern indicate the crystalline nature and the face centered cubic structure of the AgNPs. The average crystallite size of the AgNPs ranged from 18 to 22 nm. The FESEM image illustrated the well dispersion of the AgNPs and the spherical shape of the nanoparticles with a particle size distribution be
... Show MoreThe charge transfer at C23H17F8N8O2PRu, C44H30BF4N5O4Ru, C56H52CL5N5OOsP2 and C76H88F80N24O11P10Ru4 nitrosyl complexes are investigation and studies theoretically using the quantum consideration. Charge transfer behavior largely rely to the electric properties of nitrosyl complexes system whose depending on the main important parameters for the transmission rate constant such that: orientation transition energy, overlapping coupling coefficient, driving force energy, height barrier and Temperature T (K). Data results have been evaluated using a MATLAB program. Results show that rate of charge transfer increases due to increases the orientation transition energy.