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 present study aims to assess the effect of the Tharthar Canal as an outlet canal that feeds back from the Tharthar Lake on the quality of the Tigris water. Utilizing a Canadian Water Quality Index (CCME-WQI) for the protection of aquatic life Water samples were obtained every month from January to December of 2020. Six different sites were selected: four along the Tigris River and two on the Tharthar Canal. Seven ecological parameters were used to assess water quality depending on importance and availability: water temperature, Water Temperature, Turbidity, Dissolved Oxygen (DO), Total Dissolved Solids (TDS), pH, Nitrate (NO^3-) and Phosphate ( . The study demonstrated that the water quality of the Tharthr canal ranked as a

The zirconia ceramic restoration (ZCR) is used as substitutes for the metal-ceramic restoration. Clinical studies demonstrating of ZCRs showed a high fracture incidence of veneering layer than metal-ceramic restorations. This attributed to the low bond strength of zirconia to veneering ceramic as a result of lacking of glass content in its matrix. Surface treatment was proposed to improve the bonding strength between zirconia and veneering ceramic. Several studies revealed that some treatment such as airborne particle abrasion (APA) is responsible for generating chipping of veneering ceramic. The study aimed to develop a new zirconia coatings to increase bonding strength between zirconia substrate and veneering porcelain. Three groups of 15

Applying a well-performing heat exchanger is an efficient way to fortify the relatively low thermal response of phase-change materials (PCMs), which have broad application prospects in the fields of thermal management and energy storage. In this study, an improved PCM melting and solidification in corrugated (zigzag) plate heat exchanger are numerically examined compared with smooth (flat) plate heat exchanger in both horizontal and vertical positions. The effects of the channel width (0.5 W, W, and 2 W) and the airflow temperature (318 K, 323 K, and 328 K) are exclusively studied and reported. The results reveal the much better performance of the horizontal corrugated configuration compared with the smooth channel during both melti

This paper proposed a new  method to study functional non-parametric regression data analysis with conditional expectation in the case that the covariates  are functional and the Principal Component Analysis was utilized to de-correlate the multivariate response variables. It  utilized the formula of the Nadaraya Watson estimator (K-Nearest Neighbour (KNN)) for prediction with different types of the semi-metrics, (which are based on Second Derivative and Functional Principal Component Analysis (FPCA))  for measureing the closeness between curves.  Root Mean Square Errors is used for the  implementation of this model which is then compared to the independent response method. R program is used for analysing data. Then, when  the cov

Metallic solid radioactive waste class low level - short lived Radioactive Waste

(LL-SL RW) is the main type of radioactive waste generated from decommissioning operations. Transport, storage and disposal regulations require for gamma emitting radioactive waste (mainly by ¹³⁷Csisotope), that the dose rate in the proximity of the container should stand below a certain threshold. Also, the conditioning technique (using cementation technique) based on certain matrix with specific ratios should be able to attenuate the gamma radiation activity to the minimum level or to acceptable dosage rate at distance of 1m from the container. In this paper ,in absence of suitable labs for waste package assessment ,hypothetical method&n

 In this paper, we introduce and discuss an algorithm for the numerical solution of two- dimensional fractional partial differential equation with parameter. The algorithm for the numerical solution of this equation is based on implicit and an explicit difference method. Finally, numerical example is provided to illustrate that the numerical method for solving this equation is an effective solution method.

The presented work includes the Homotopy Transforms of Analysis Method (HTAM). By this method, the approximate solution of nonlinear Navier- Stokes equations of fractional order derivative was obtained.  The Caputo's derivative was used in the proposed method. The desired solution was calculated by using the convergent power series to the components. The obtained results are demonstrated by comparison with the results of Adomain decomposition method, Homotopy Analysis method and exact solution, as explained in examples (4.1) and (4.2). The comparison shows that the used method is powerful and efficient.