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THEORETICAL MODELING OF THE ELECTRONIC PROPERTIES CORE AND SURFACE OF CdSe1-xTex CHALCOGENIDE NANOCRYSTALS VIA DFT CALCULATION
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Publication Date
Sun Mar 01 2026
Journal Name
Journal Of Molecular Structure
Synthesis, characterization, DFT calculations, molecular docking, ADMET analysis and biological activity of Schiff base metal complexes against colon cancer cells
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Publication Date
Sat Jan 03 2026
Journal Name
Journal Of Molecular Structure
Synthesis, characterization, DFT calculations, molecular docking, ADMET analysis and biological activity of Schiff base metal complexes against colon cancer cells
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Publication Date
Sat Apr 01 2023
Journal Name
Journal Of Engineering
Modeling and Simulating NOMA Performance for Next Generations
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Non-orthogonal Multiple Access (NOMA) is a multiple-access technique allowing multiusers to share the same communication resources, increasing spectral efficiency and throughput. NOMA has been shown to provide significant performance gains over orthogonal multiple access (OMA) regarding spectral efficiency and throughput. In this paper, two scenarios of NOMA are analyzed and simulated, involving two users and multiple users (four users) to evaluate NOMA's performance. The simulated results indicate that the achievable sum rate for the two users’ scenarios is 16.7 (bps/Hz), while for the multi-users scenario is 20.69 (bps/Hz) at transmitted power of 25 dBm. The BER for two users’ scenarios is 0.004202 and 0.001564 for

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Publication Date
Fri Nov 15 2024
Journal Name
Scientific Reports
Ag@WO3 core–shell nanocomposite for wide range photo detection
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This study successfully synthesized high-performance photodetectors based on Ag-WO3 core–shell heterostructures using a simple and economical two-step pulsed laser ablation in water method and has investigated the electrical characteristics of the Ag@WO3 nanocomposite heterojunction. The Hall effect tests indicate that the synthesized Ag@WO3 exhibits n-type conduction with a Hall mobility of 1.25 × 103 cm2V-1S-1. Dark current–voltage properties indicated that the created heterojunctions displayed rectification capabilities, with the highest rectification factor of around 1.71 seen at a 5 V bias. A photodetector’s responsivity reveals the existence of two response peaks, which are situated in the ultraviolet and visible region. The ph

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Publication Date
Fri Feb 08 2019
Journal Name
Iraqi Journal Of Laser
Chemical Sensor Based on a Hollow-Core Photonic Crystal Fiber
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In this work a chemical sensor was built by using Plane Wave Expansion (PWE) modeling technique by filling the core of 1550 hollow core photonic crystal fiber with chloroform that has different concentrations after being diluted with distilled water. The minimum photonic bandgap width is.0003 and .0005 rad/sec with 19 and 7 cells respectively and a concentration of chloroform that filled these two fibers is 75%.

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Publication Date
Sun Sep 07 2014
Journal Name
Baghdad Science Journal
Dispersion in a Gas Filled Hollow Core Photonic Crystal Fiber
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Hollow core photonic bandgap fibers provide a new geometry for the realization and enhancement of many nonlinear optical effects. Such fibers offer novel guidance and dispersion properties that provide an advantage over conventional fibers for various applications. Dispersion, which expresses the variation with wavelength of the guided-mode group velocity, is one of the most important properties of optical fibers. Photonic crystal fibers (PCFs) offer much larger flexibility than conventional fibers with respect to tailoring of the dispersion curve. This is partly due to the large refractive-index contrast available in the silica/air microstructures, and partly due to the possibility of making complex refractive-index structure over the fibe

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Publication Date
Mon Mar 08 2021
Journal Name
Baghdad Science Journal
The structural and mechanical properties of ion beam
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the structrual and mechanical properties of thin Ni films of different thicknesses deposited on coring glass substrate using lonbeam sputtering(IBS) technique under vacuum torr have been studied the TEM and electron

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Publication Date
Sat Aug 02 2025
Journal Name
Engineering, Technology & Applied Science Research
Analytical and Theoretical Development of Load-Moment Interaction Diagrams of Rectangular CFRP-RC Columns
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Carbon Fiber-Reinforced Polymer (CFRP) bars have several advantages over traditional steel reinforcement, including low density, erosion resistance, and higher tensile strength. The ACI 440.11-22 code permits CFRP as reinforcement; however, there are limited experimental studies on its application in Reinforced Concrete (RC) columns under combined loads. This study utilized theoretical analysis and Finite Element Analysis (FEA) to investigate 25 square slender concrete columns (kL/r = 17) affected by concentric and eccentric loads, examining variables, like CFRP bar contribution, eccentricity-to-depth ratio, and reinforcement arrangement. The results demonstrated CFRP's effectiveness in these columns, with failure modes varying from

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Publication Date
Sun Sep 22 2019
Journal Name
Baghdad Science Journal
Geometry, and Normal Modes of Vibration (3N-6) for Di and Tetra-Rings Layer (6, 0) Linear (Zigzag) SWCNTs; A DFT Treatment
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            Density Functional Theory (DFT) method of the type (B3LYP) and a Gaussian basis set (6-311G) were applied for calculating the vibration frequencies and absorption intensities for normal coordinates (3N-6) at the equilibrium geometry of the Di and Tetra-rings layer (6, 0) zigzag single wall carbon nanotubes (SWCNTs) by using Gaussian-09 program. Both were found to have the same symmetry of D6d point group with C--C bond alternation in all tube rings (for axial bonds, which are the vertical C--Ca bonds in rings layer and for circumferential bonds C—Cc in the outer and mid rings bonds). Assignments of the modes of vibration IR active and inactive vibration frequ

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Publication Date
Thu Dec 01 2022
Journal Name
Indian Journal Of Heterocyclic Chemistry
Design, Synthesis, Theoretical Studies, and Effect of N-Mannich Base Ciprofloxacin Derivatives on the Activity of Some Transfer Enzymes
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The present report depicts a convenient route for the synthesis of new N-Mannich bases from Ciprofloxacin (CP) drug. The synthetic route started from the reaction CP drug with 2-mercaptobenzimidazole to give compound [A], the N-Mannich bases analogs of CP [A1-A8] were prepared by the reaction of CP derivative [A] with primary and secondary amine derivatives. The structure of the analogs was confirmed by spectral (1 HNMR and FTIR) and analytical data. This study also includes calculations of total energy and electrostatic potential. In addition, this research aimed to determine the effects of CP derivatives on the activity of various transferase enzymes in sera, such as serum glutamic-oxaloacetic transaminase (GOT) and Glutamate Pyruvate Tra

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