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.
ABSTRACT
A field experiment was carried out in the fields of the college of agricultural engineering sciences, university of Baghdad during the fall season of 2021, in order to find out which of the cultivated genotypes of maize are efficient under nitrogen fertilization. The experiment was applied according to a RCBD (split plot design with three replications). The genotypes of experiment (Baghdad, 5018 and Sarah) and supplying three levels of nitrogen fertilizer, which are N1 (100 kg/ha), N2 (200 kg/ha) and N3 (300 kg/ha), the results of the statistical analysis are showed the superiority of the cultivar Sarah in the trait of number of days until 50% silking, chlorophyll
... Show MoreRMK Al-Zaidi, MM Ahmed
Chemical bath deposition was used to synthesize ZnO nanorods (NRs) on glass and fluorine_doped tin oxide (FTO) substrates. X-ray diffraction was performed to examine the crystallinity of ZnO nanorod. Results showed that ZnO NRs had a wurtzite crystal structure. Field emission scanning electron microscopy images showed that glass sample had rod-like structure distribution with (50 nm) diameter and average length of approximately (700 nm), whereas the FTO-coated glass sample had 25 nm diameter and average length of approximately 950 nm. The direct optical transition band gaps of the glass and FTO_coated glass samples were( 4 and 4.43 eV), respectively. The structural and optical properties of the synthesized ZnO p
... Show MoreThe purpose of this paper is to depict the effect of adding a hydraulic accumulator to a hydraulic system. The experimental work includes using measuring devices with interface to measure the pressure and the vibration of the system directly by computer so as to show the effect of accumulator graphically for real conditions, also the effects of hydraulic accumulator for different applications
have been tested. A simulation analysis of the hydraulic control system using MATLAB.R2010b to study was made to study the stability of the system depending on the transfer function, to estimate the effect of adding the accumulator on stability of the system. A physical simulation test was made for the hydraulic system using MATLAB to show the ef
Background: Chemotherapeutic medication treatment for cancer is typically used in conjunction with other techniques as part of a routine regimen. It is well established that the capacity of different chemotherapeutic drugs to induce apoptosis is correlated with their anticancer efficacy. Quinazolinone-based drugs have demonstrated excellent responses from several cancer cell types. These substances have a lot of potential for use as building blocks in the creation of apoptosis inducers. Objective: To assess the new quinazolinone derivatives (M1 and M2) that were recently synthesized for their potential to halt wound healing and to use the acridine orange/propidium iodide (AO/PI) double stain to assess their capacity to induce apopto
... Show MoreIsatin (1H-indole-2, 3-dione) and its analogs are an important class of heterocyclic compounds. N-benzyl isatins and Schiff bases of isatin analogs have been reported to demonstrate a variety of biological activities. This work illustrates the synthesis of new N-benzylisatin Schiff bases and studies their biological activity. Firstly, Isatin and its analogs; 5-methoxyisatin, 5-fluoroisatin reacted with benzyl iodide to obtain N-benzylated derivatives of isatins 2 (ac). Secondly, these compounds were reacted with different amines (sulphanilamide and 4-methyl sulphonyl aniline) separately, to obtain Schiff bases compounds 3 (ac) and 4 (ac), respectively. The synthesized compounds were characterized by using FT-IR and 1HNMR spectroscopy. The s
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