The present work shows a theoretical results that have been used the functional Hybrid of three parameters Lee-Yang-Parr (B3LYP) of the quantum mechanical approach for density functional theory with (Spanish Initiative for Electronic Simulations with Thousands of Atoms) SIESTA code. All calculations were carried out employing the used method at the Gaussian 09 package of programs. It was reported the main point for research on dominance of the bandgap of elongated pi-conjugated molecules by using different chemical groups replacing hydrogen atom in the most molecules that used in this work. The side groups creates another factor that controls the value of the band gap. The dihedral angle between the two phenyl rings plays more important role in controlling the band gap in these molecules.
In this study, polymeric coating was developed by incorporating nano graphene in the polymer blend with applications to oil storage tanks. The oil storage tanks samples were brought from the oil Pipeline Company / Doura refinery in Baghdad. The coating polymer was formed with a blend (epoxy resin and repcoat ZR). The proportion of mixing the mixture was 3:1:1 epoxy resin 21.06 gm: repcoat ZR 10.53 gm: hardener 10.53 gm. The blend/graphene was prepared using in stui-polymerization method with different weight percentage 1, 3, 5, and 7 wt % added to blend. The resulting solution was put in a glass tube on a magnetic stirrer for one hour at a temperature of 40 °C. The result of contact angle and wate
... Show MoreBackground: Marginal adaptation is critical for long – term success of crown and bridge restoration. Computer aided design / computer aided manufacture (CAD/ CAM) system is gaining more importance in the fabrication of dental restoration. Objective: The aim of this study is to evaluate the effect of crystallization firing on the vertical marginal gap of IPS. emax CAD crowns which fabricated with two different CAD/CAM systems .Materials and Methods: Twenty IPS e.max CAD crowns were fabricated. We had two major groups (A, B) (10 crowns for each group) according to the CAD/CAM system being used: Group A: fabricated with Imes - Icore CAD/CAM system; Group B: fabricated with In Lab Sirona CAD/CAM system. Each group was subdivided into two s
... Show MoreDFT (3-21G, 6-31G and 6-311G/ B3LYP) and Semi-empirical PM3 methods were applied for calculating the vibration frequencies and absorption intensities for normal coordinates (3N-6) of the Tri-rings layer (6,0) Zigzag single wall carbon nanotube (SWCNT) at their equilibrium geometries which was found to have D6h symmetry point group with C-C bond alternation in all tube rings.as well as mono ring layer. Assignments of the modes of vibration were done depending on the pictures of their modes applying by Gaussian 03 program. The whole relations for the vibration modes were also done including (CH stretching, CC stretching, deformation in plane of the molecule (δCH, δring and δCCC), deformation out of plane of the molecule (CH and
... Show MorePetrophysical properties of Mishrif Formation at the Tuba field determined from interpretation of open log data of(Tu-2,3,4,5,6,12,24,and 25) wells. These properties include total (effected) and secondary porosity, as well as moveable and residual oil saturation into invaded and uninvaded zones. According to Petrophysical properties it is possible to divided Mishrif Formation into three reservoir units (RU1,2,and 3) separated by four cap rocks (Bar1,2,3,and 4) . Three-dimension reservoir model is established by used (Petrel, 2009) Software for each reservoir units. Result shows that the second and third reservoir units represent important reservoir units of Mishrif Formation. Thickness and reservoir properties enhanced toward middle and
... Show MoreThe Invar effect in 3D transition metal such as Ni and Mn, were prepared on a series composition of binary Ni1-xMnx system with x=0.3, 0.5, 0.8 by using powder metallurgy technique. In this work, the characterization of structural and thermal properties have been investigated experimentally by X-ray diffraction, thermal expansion coefficient and vibrating sample magnetometer (VSM) techniques. The results show that anonymously negative thermal expansion coefficient are changeable in the structure. The results were explained due to the instability relation between magnetic spins with lattice distortion on some of ferromagnetic metals.
This experiment was carried out in the greenhouse of Al-Adawi area of the Damascus Governorate, and labs of the Horticulture Department, Faculty of Agriculture, Damascus University during the period 2020-2021, to study the effect of biofertilizer, Em1 (0, 4, 8 ml/l), and seaweed extract, Alga 600 (0, 1, 2 g/l) and their interactions on growth and productivity of strawberry plant cv. Festival. data were calculated after six months of culture. The combination treatment of Em1, (8 ml/l) and Alga 600 (2 g/l) resulted in the best morphological parameters (23,93 cm, 27.87, 138.81 cm² for plant height, leaf number, and area respectively), physiological parameters (10.30 %, 60.00 mg/100 gm wet weight, 0.59 % for total soluble solids, v
... Show MoreBackground: Automobile spray painting is considered an occupation with a high risk of respiratory impairment and asthma. Exposure to organic solvents used for spraying might be of high risk for development of dysfunction in other organs.
Objective: The study was designed to evaluate the pulmonary and hepatic toxicity due to exposure of automobile painters to organic solvents in work places within the Baghdad governorate area.
Methods: Thirty cross sectional selected male workers employed in automobile body paint shops in two industrial areas within Baghdad city (Al-Sheikh Omar and Al-Rasheed camp regions) were recruited to the study during the period from March to May 2012. Thirty non-exposed students and employees in the college o
The Experiment was conducted during the fall of 2002-2003 at the botanical gardenor of biology Department, Ibn- Al Hiatham Education college Baghdad University to study the effect of two planting dates (23/10 and 6/ll 2002) with different concentrations of GA3 (100 and 200 ppm) on growth characters and the active material of two cultivars (Local and German) of chamomilla (Matricaria chamomilla L.) plants. Randomized complete Block Design (R.C.B.D.) was used with three replications . Each one of the experiment units 1x1m .The parameters study were plant height, no shoots, no inflorescence branches and nodes , leaf area and leaf area index and violate oil percentage. The result showed that planting date. At 23/10 give a significant
... Show More