A set of ten drug compounds containing an amino group in the structure were determined theoretically. The parameters were entered into a model to forecast the optimal values of practical (log P) medicinal molecules. The drugs were evaluated theoretically using different types of calculations which are AM1, PM3, and Hartree Fock at the basis set (HF/STO-3G). The Physico-chemical data like (entropy, total energy, Gibbs Free Energy,…etc were computed and played an important role in the predictions of the practical lipophilicity values. Besides, Eigenvalues named HOMO and LUMO were determined. Linearity was shown when correlated between the experimental data with the evaluated physical properties. The statistical analysis was used to analy

As the temperature of combustion gases is higher than the melting temperature of the turbine materials, cooling of turbine parts in a gas turbine engine is necessary for safe operation. Cooling methods investigated in this computational study included cooling flow losses. Film-cooling is one typically used cooling method whereby coolant is supplied through holes passage, in present study the holes placed along the camber line of the blade. The subject of this paper is to evaluate the heat transfer that occur on the holes of blade through different
blowing coolant rates. The cases of this study were performed in a low speed wind tunnel with two tip gap at small and large (0.03 and 0.09cm) and multiple coolant flow rates through the fil

Technology is one of the important influences in the development of professions in general and the profession of tax auditing and examination in particular because of the importance of this section in the General Tax Authority because of the service it provides is auditing the financial accounts provided to the department by the taxpayers to ensure the correctness of revenue and the achievement of tax justice. Where the research aims at the importance of using electronic accounting information systems in developing the work of the Tax Audit and Examination Department, to reduce the difficulties that the department may be using using manual systems, which is the need for time and effort to accomplish it, and to develop methods and procedu

With the premise that effective use of online instructional practices is of vital importance in classrooms, the current study aimed to examine the effects of using Moodle applications to develop instructors’ skills in designing electronic tests at Dhofar University. The sample of this study consisted of (25) instructors participated in the experimental group. The researchers implemented a quasi-experimental design with one group pre- and post-test; in addition, an observation card was implemented to measure the target skills related to test design. The research instruments were subjected to validity and reliability measures to ensure valid and reliable data and results. The study results showed that those instructors who participated i

We conducted a theoretical study on the potential use of amorphous hydrogenated silicon (a-Si:H) as the high-index material in quarter-wave-stack Bragg mirrors for cavity quantum electrodynamics applications. Compared to conventionally employed T a 2

Hsieh-Wildenthal (HW) and G-matrix PF1, (GXPF1) interactions for 40Ca and 48Ca, respectively. The 40Ca was considered to be consisted of 32S as a core and 1d3/21f7/2 subshells as a model space. The 48Ca was considered to be consisted of 40Ca as a core and 1f7/22p3/21f5/2 2p1/2 subshells as a model space. The obtained one body-density matrix elements (OBDME) for both interactions for the studied Coulomb transitions:  For 40Ca, the three non-normal parity transitions (C3): ,  and  and one C5 transitions,  .  For 48Ca, the two C2 transitions:  and  and one C4 transitions  were used in parallel with the transformed harmonic-oscillator basis to compute charge density, elastic electron scattering differential cross-section and ela