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Engineering promising A-π-D type molecules for efficient organic-based material solar cells
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Within this work, to promote the efficiency of organic-based solar cells, a series of novel A-π-D type small molecules were scrutinised. The acceptors which we designed had a moiety of N, N-dimethylaniline as the donor and catechol moiety as the acceptor linked through various conjugated π-linkers. We performed DFT (B3LYP) as well as TD-DFT (CAM-B3LYP) computations using 6-31G (d,p) for scrutinising the impact of various π-linkers upon optoelectronic characteristics, stability, and rate of charge transport. In comparison with the reference molecule, various π-linkers led to a smaller HOMO–LUMO energy gap. Compared to the reference molecule, there was a considerable red shift in the molecules under study (A1–A4). Therefore, based on the analysis of energy level, A4 and A3 were shown to be promising non-fullerene acceptors with the designed donors for applications in solar cells. It is hoped that the current study would provide theoretical insights into the design and amplification of optoelectronic characteristics of suggested frameworks on a grand scale in comparison with the reference molecules.

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Publication Date
Fri May 21 2021
Journal Name
International Journal Of Pavement Research And Technology
Developing Resilient Modulus Prediction Models Based on Experimental Results of Crushed Hornfels Mixes with Different Gradations and Plasticity
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Publication Date
Fri Jul 01 2016
Journal Name
Colloids And Surfaces A: Physicochemical And Engineering Aspects
Stability and thermophysical properties of water-based nanofluids containing triethanolamine-treated graphene nanoplatelets with different specific surface areas
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tA novel synthesis procedure is presented for preparing triethanolamine-treated graphene nanoplatelets(TEA-GNPs) with different specific areas (SSAs). Using ultrasonication, the covalently functionalizedTEA-GNPs with different weight concentrations and SSAs were dispersed in distilled water to prepareTEA-GNPs nanofluids. A simple direct coupling of GNPs with TEA molecules is implemented to synthesizestable water-based nanofluids. The effectiveness of the functionalization procedure was validated by thecharacterization and morphology tests, i.e., FTIR, Raman spectroscopy, EDS, and TEM. Thermal conduc-tivity, dispersion stability, and rheological properties were investigated. Using UV–vis spectrometer, ahighest dispersion stability of 0.876

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Publication Date
Mon Jan 30 2023
Journal Name
Iraqi Journal Of Science
Synthesis, Characterization of Some Thiourea Derivatives Based on 4-Methoxybenzoyl Chloride as Antioxidants and Study of Molecular Docking
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     Ten new thiourea derivatives 1-10 were prepared in this work using a two-step process that involved reacting 4-methoxybenzoyl chloride with KSCN to afford 4-methoxybenzoyl isothiocyanate. This was followed by reaction with various amines (primary amines, secondary amines, and diamines) to give the aforementioned title products 1-10. These products were characterized by FT-IR, 1H NMR and 13C NMR spectroscopy. Using the DPPH scavenging method, the antioxidant activity of thiourea products was investigated, and derivative 8 had the greatest antioxidant activity in comparison to the other derivatives. Moreover, molecular dockin

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Publication Date
Sat Feb 01 2020
Journal Name
Iop Conference Series: Materials Science And Engineering
Field study of the effect of jet grouting parameters on strength based on tensile and unconfined compressive strength
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Abstract<p>The improvement of the mechanical soil characteristics of jet grouting technique is very attractive. The jet grouted soil cement columns in soft is a complicated issue because it depends on a number of factors such as, soil nature, mixture, influence among soil and grouting materials, jetting force of nozzle, jet grouting and water flow rate, rotation and lifting speed. This paper discusses the estimation of shear strength parameters of soil-cement column (soilcrete) in soft clayey soil based on the relationships between the unconfined compressive and split tensile strength for the soilcrete and the effect of the jet grouting and water pressure in the values of cohesion and internal f</p> ... Show More
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Publication Date
Wed May 25 2022
Journal Name
Iraqi Journal Of Science
Stopping power of Hetero nuclear di-cluster ions from partial-wave analysis based on semi classical phase shifts
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We apply a semi classical partial-wave scattering method based on the induced density approach (IDA) model. For ion electron scattering, the transport cross section is used to calculate the energy loss. This method yields a non-perturbative exemplification of energy loss, bridging the difference among classical and quantal representations. The focus of this work is the interaction of hetero nuclear di-cluster (He-H) ions with a free gas. The results show three kinds of stopping power in (a.u) (cluster stopping power, self-stopping power and correlated stopping power) of hetero nuclear di-cluster ions (He-H) with velocity at different atomic di-cluster distances at different densities and temperatures. We find that Bragg’

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Publication Date
Tue Jan 11 2022
Journal Name
Iraqi Journal Of Science
Genotyping of Staphylococcus aureus Isolates Based on Methicillin-Resistance Genes and its Relatedness to some Putative Virulence Factors
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The emergence and spread of methicillin-resistant Staphylococcus aureus (MRSA) was a public health problem worldwide that causes nosocomial and community infections. Forty three isolates (71.66%) were characterized as S.aureus, were isolated from 60 different clinical specimens (blood, nose, wound, urine and vaginal) collected from patients from different hospitals of Baghdad. All isolates were resistant (100%) to Aztreonam, Carbenicillin, Cifixime, Cefoxitin, Ceftazidime, and showed high resistance to each of Methicillin, Oxacillin, Ampicillin and Penicillin . the MRSA isolates were typed based on (SCCmec) typing ,the result revealed that SCCmecIVa was the most common in isolates (41.86%), following type IVc (20.93%), type II(16.27%). V

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Publication Date
Mon Dec 31 2018
Journal Name
Iraqi Journal Of Market Research And Consumer Protection
EXPOSURE TO TELEVISION PROMOTION OF PHARMACEUTICAL PRODUCTS AND TRENDS TOWARDS THEM / FIELD RESEARCH FOR A SAMPLE OF THE AUDIENCE IN THE CITY OF BAGHDAD: EXPOSURE TO TELEVISION PROMOTION OF PHARMACEUTICAL PRODUCTS AND TRENDS TOWARDS THEM / FIELD RESEARCH FOR A SAMPLE OF THE AUDIENCE IN THE CITY OF BAGHDAD
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A field study was conducted on a sample of the public in Baghdad to study the audience's exposure to the television promotion of pharmaceutical products and their trends in order to determine the rate of exposure of the public to the television promotion of pharmaceutical products according to the theory of uses and rumors and to determine the public's attitudes towards television promotion of pharmaceutical products. A survey of (25) a questions was distributed to a sample of the audience of 150 people. The statistical program SPSS was used to unload the data and for the calculation of frequencies and percentages and correlation coefficients. The research reached several results, Most importantly, the television promotion is well receiv

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Publication Date
Fri Jan 11 2019
Journal Name
Iraqi Journal Of Physics
Structural and optical properties for PVA- PEG-MnCl2 composites
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Polymer films of PEG and PVA and their blend with different
concentrations of MnCl2 (0, 2, 4, 6 and 10 %.wt) were study using
casting technique. The X-ray spectra of pure PEG, PVA and
PVA:PEG films and with addition of 2% concentrations from
(MnCl2) show amorphous structures. The results for FTIR show the
interaction between the filler and polymer blend results in
decreasing crystallinity with rich amorphous phase. This
amorphous nature confirms the complexation between the filler and
the polymer blend. The optical properties of (PVA:PEG/MnCl2)
contain the recording of absorbance (A) and explain that the
absorption coefficient (α), refractive index (n), extinction coefficient
(ko) and the dielectric cons

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Publication Date
Tue Feb 11 2025
Journal Name
Journal Of Physical Education
A comparative analysis , for some Elkinmetekih variables , in the performance of the skill (Nick shot the front reverse ) , between the players of the Iraqi team and the Egyptian , for young people in squash
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Publication Date
Wed Mar 01 2023
Journal Name
Journal Of Engineering
Effect of a Parked Car Orientation on a Temperature Distribution and Cooling Load Calculation: Experimental Study
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When a vehicle is left parked in the sun for an extended period, the gathered heat causes damage to several interiors within the cabin and causes discomfort for people and animals left inside the car. In the present work, the effect of the orientation of a parked white minibus on temperature distribution and cooling load calculation is studied experimentally in an open environment. Two different cases were studied facing south and facing east. For several hours, the temperature inside the car cabin had been monitored and measured at five separate locations. The cooling load calculations are carried out based on the experimental measurements. The results show that the overheating of parked cars always happens as a result

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