This work involves theoretical and experimental studies for seven compounds to calculate the electrons spectrum and NLO properties. The theoretical study is done by employing the Time Depending Density Functional Theory TD-DFT and B3LYP/high basis set 6-311++G (2d,2p), using Gaussian program 09. Experimental study by UV/VIS spectrophotometer device to prove the theoretical study. Theoretical and experimental results were applicable in spectrum and energy gap values, in addition to convergence theoretically the energy gap results from ΔEHOMO-LUMO and UV/VIS. spectrum. Consider the theoretical method very appropriate to compounds that absorb in vacuum UV.
Ruthenium-Ruthenium and Ruthenium–ligand interactions in the triruthenium "[Ru3(μ-H)(μ3-κ2-Hamphox-N,N)(CO)9]" cluster are studied at DFT level of theory. The topological indices are evaluated in term of QTAIM (quantum theory of atoms in molecule). The computed topological parameters are in agreement with related transition metal complexes documented in the research papers. The QTAIM analysis of the bridged core part, i.e., Ru3H, analysis shows that there is no bond path and bond critical point (chemical bonding) between Ru(2) and Ru(3). Nevertheless, a non-negligible delocalization index for this non-bonding interaction is calculated
... Show MoreBackground: Brush cytology is an accepted technique that gets renewed interest. It is now used as an aid for the diagnosis and observation of possible epithelial changes that could be associated with oral mucosal diseases. This study aimed to evaluate the cytomorphometric changes in gingiva and buccal mucosa of type II diabetics and to assess their relation to oral symptoms and glycemic status. Materials and methods: Cytological Papanicolaou stained smear were prepared from cheek and gingiva of 20 non treated cases, 20 treated diabetics and 20 healthy persons of both sex after measuring their HbA1c and recording their oral symptoms. Hundred unfolded epithelial cells were evaluated qualitatively using MCID software to measure nuclear and cy
... Show MoreThis research deals with one scene from the movie Romeo and Juliet, which is the balcony scene, due to the importance of this scene in the formation of the construction of the subsequent events of the movie.
The first chapter contained the methodological framework of the research, where the research problem was identified in how Zeffirelli dealt with the balcony scene in the play Romeo and Juliet and enriched it in the cinematic language with a comparison with the original text of the scene. In the balcony scene with comparative parts between the film and the text and the limits of the research that was limited to the film Zeffirelli and the translated text by Munis Taha Hussein.
The second chapter contained the theoretic
... Show MoreThe study aims to follow modern methods in teaching rhythmic gymnastics skills by directing learners to develop their perceptions and absorb what the world deals with today and develop intelligence among learners, the researchers searched for the strengths of the learner by providing them with an opportunity to form their kinetic formation, hence the problem came by introducing a method of self-intelligence and social to guide the learner in the search for ways and solutions to overcome boredom and economy Time and effort in the educational process in learning and give them the freedom to express their ideas And their skills and here came the role of social and self-intelligence to teach the individual and collective kinetic formati
... Show MoreThe effect of annealing temperature (Ta) on the electrical properties like ,D.C electrical conductivity (σ DC), activation energy (Ea),A.C conductivity σa.c ,real and imaginary (ε1,ε2) of dielectric constants ,relaxation time (τ) has been measured of ZnS thin films (350 nm) in thickness which were prepared at room temperature (R.T) using thermal evaporation under vacuum . The results showed that σD.C increases while the activation energy values(Ea) decreases with increasing of annealing temperature.(Ta) from 303- 423 K .
The density of charge carriers (nH) and Hall mobility (μH) increases also with increasing of annealing temperature Hall effect measurements showed that ZnS films were n-type converted to p-type at high annealin
Through this study, the following has been proven, if is an algebraically paranormal operator acting on separable Hilbert space, then satisfies the ( ) property and is also satisfies the ( ) property for all . These results are also achieved for ( ) property. In addition, we prove that for a polaroid operator with finite ascent then after the property ( ) holds for for all.
The Asphalt cement is produced as a by-product from the oil industry; the asphalt must practice further processing to control the percentage of its different ingredients so that it will be suitable for paving process. The objective of this work is to prepare different types of modified Asphalt cement using locally available additives, and subjecting the prepared modified Asphalt cement to testing procedures usually adopted for Asphalt cement, and compare the test results with the specification requirements for the modified Asphalt cement to fulfill the paving process requirements. An attempt was made to prepare the modified Asphalt cement for pavement construction in the laboratory by digesting each of the two penetration grade Asphalt c
... Show MoreCadmium Oxide thin films were deposited on glass substrate by spray pyrolysis technique at different temperatures (300,350,400, 500)oC. The optical properties of the films were studied in this work. The optical band-gap was determined from absorption spectra, it was found that the optical band-gap was within the range of (2.5-2.56)eV also width of localized states and another optical properties.
GaN thin films were deposited by thermal evaporation onto
glass substrates at substrate temperature of 403 K and a thickness of
385 nm . GaN films have amorphous structure as shown in X-ray
diffraction pattern . From absorbance data within the range ( 200-
900 ) nm direct optical energy gap was calculated . Also the others
optical parameters like transmittance T, reflectance R , refractive
index n , extinction coefficient k , real dielectric constant 1 Î , and
imaginary dielectric constant 2 Î were determined . GaN films
have good absorbance and minimum transmittance in the region of
the visible light .
The local asphalt concrete fracture properties represented by the fracture energy, J-integral, and stress intensity factor are calculated from the results of the three point bending beam test made for pre notches beams specimens with deformation rate of 1.27 mm/min. The results revealed that the stress intensity factor has increased by more than 40% when decreasing the testing temperature 10˚C and increasing the notch depth from 5 to 30mm. The change of asphalt type and content have a limited effect of less than 6%.