In this study a DFT calculation on cyclopropanone, cyclopropandione and cyclopropantrione molecules was performed using the basis function 6-31G ** / MP2 and exchange correlation potential B3-LYP. The results showed that the ground state of all molecules geometry belong to the point group 𝐶2𝑣where a vibronic coupling between the vibrational motion with the electronic ground state in the molecule C3O3 this leads to a reduction in symmetry of the molecule from𝐷3â„Žto 𝐶2𝑣, the driving force of this process is accessing to the electronic configuration complies with Hückel aromatic systems with two electrons. Also in this, study the normal modes of vibration, frequencies, intensities and symm

The history of civilizations in the past centuries is a rich source for creativity and inspiration in all areas of art and design, especially in the field of fashion design. Many designers draw their designs from previous eras; which is the aim of this research as we propose designing fashion the mannequin for the category of young girls aged between (10-18). The costumes were inspired by Victorian women's costumes during the time period (1860-1890) and were subdivided into three time periods (1860-1870), (1870-1880), (1880-1890) forming three designs for each time period , analyzing the nine designs to achieve the creative , functional and aesthetic aspects that are appropriate for the age group (research sample). The importance of the

Calcium-Montmorillonite (bentonite) [Ca-MMT] has been prepared via cation exchange reaction using benzalkonium chloride [quaternary ammonium] as a surfactant to produce organoclay which is used to prepare polymer composites. Functionalization of this filler surface is very important factor for achieving good interaction between filler and polymer matrix. Basal spacing and functional groups identification of this organoclay were characterized using X-Ray Diffraction (XRD) and Fourier Transform Infrared (FTIR) spectroscopy respectively.  The (XRD) results showed that the basal spacing of the treated clay (organoclay) with the benzalkonium chloride increased to 15.17213 ⁰A, this represents an increment of about 77.9% in the

A new method for construction ion-selective electrode (ISE) by heating reaction of methyl orange with ammonium reineckate using PVC as plasticizer for determination methyl orange and determination Amitriptyline Hydrochloried drug by formation ion-pair on electrode surface . The characteristics of the electrode and it response as following : internal solution 10-4M , pH (2.5-5) ,temperature (20-30) and response time 2 sec. Calibration response for methyl orange over the concentrationrange 10-3 -10-9 M with R=0.9989 , RSD%=0.1052, D.O.L=0.315X10-9 MEre%=(-0.877- -2.76) , Rec%.=(97.230 -101.711) .

      This paper presents an alternative method for developing effective embedded optimized Runge-Kutta (RK) algorithms to solve oscillatory problems numerically.   The embedded scheme approach has algebraic orders of 5 and 4. By transforming second-order ordinary differential equations (ODEs) into their first-order counterpart, the suggested approach solves first-order ODEs. The amplification error, phase-lag, and first derivative of the phase-lag are all nil in the embedded pair. The alternative method’s absolute stability is demonstrated. The numerical tests are conducted to demonstrate the effectiveness of the developed approach in comparison to other RK approaches. The alternative approach outperforms the current RK methods

Groundwater recharge estimation is essential for management of groundwater systems.  As groundwater is a vital source of water for domestic and agricultural activities in the study area (Karbala - Najaf plateau), ‎where the Dibdibba aquifer represents the primary and essential aquifer, evaluation of groundwater recharge is critical in the study area. A wide range of methodologies exists for estimating recharge.‎ ‎The water-table fluctuation method strategy might be the most generally utilized system for estimating recharge; it requires learning of changes in water levels over time and specific yield. Advantages of this approach include its simplicity and an insensitivity to the mechanism by which water moves through the unsatu

In this paper, split-plate airlift electrochemical reactor as an apparatus with new configuration for wastewater treatment was provided. Two aluminum plates were fixed inside the reactor and present two functions; first it works as split plates for internal loop generation of the airlift system (the zone between the two plates acts as riser while the other two zones act as downcomer) and second it works as two electrodes for electrocoagulation process. Simulated wastewater contaminated with zinc ions was used to test the performance of this apparatus for zinc removal by studying the effect of different experimental variables such as initial concentration of zinc (50-800 ppm), electrical current density (2.67-21.4 mA/cm²), init

The numerical resolve nonlinear system of Volterra integral equation of the second kind (NLSVIEK2) has been considered. The exponential function is used as the base function of the collocation method to approximate the resolve of the problem. Arithmetic epitome are performed which have already been solved by weighted residual manner,  Taylor manner and block- by- block(2, 3, 5).