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Study of the Interaction Between Reduced Graphene Oxide and NO<sub>2</sub>Gas Molecules via Density Functional Theory (DFT)
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Electronic properties such as density of state, energy gap, HOMO (the highest occupied molecular orbital) level, LUMO (the lowest unoccupied molecular orbital) level and density of bonds, as well as spectroscopic properties like infrared (IR), Raman scattering, force constant, and reduced masses for coronene C24, reduced graphene oxide (rGO) C24O5and interaction between C24O5and NO2gas molecules were investigated. Density functional theory (DFT) with the exchange hybrid function B3LYP with 6-311G** basis sets through the Gaussian 09 W software program was used to do these calculations. Gaussian view 05 was employed as a supplementary software to investigate the geometrical structure of C24, C24O5and the interaction of C24O5with NO2gas molecule. It shows the energy gap of coronene C243.5 eV because the effect of quantum confinement and the Coulomb interaction geometry greatly influence the quasi-particle band gap and C24Oxwhere x = 1–7 was from 0.89 eV to 1.6862 eV a function of number of oxygen atoms and compared with the experiment value of graphene oxide which was between 1 eV and 2.2 eV. The spectroscopic properties were compared with the experiment value of graphene, graphene oxide and NO2longitudinal optical (LO) modes of 1 585, 1 582 and 1 600 cm−1, respectively. The transition state of the interaction of rGO with nitrogen dioxide and Gibbs energy, enthalpy, activation entropy and reaction at various temperatures between 25°C and 100°C were calculated. The activation energy of C24O5with nitrogen dioxide decreases with increasing temperature.

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Publication Date
Sat Jun 28 2025
Journal Name
Journal Of Physical Education
Mineral and sugar concentrations taken during matches and their effect on some physical and functional abilities of football players
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Many athletes believe that it enhances the level of performance during training and competition, in addition to compensating for fluids during exercise when the levels of temperature and humidity in the atmosphere rise during the athlete's intensive training, as it increases the requirements for fluid compensation to avoid the risk of potential thermal disorders. If training continues for more than an hour causing fatigue, athletes are advised to drink carbohydrate drinks that quickly convert to glucose in the blood, while sodium should be included in the fluids consumed during exercise or matches that last more than (1-2 hours). The effect of drinking a drink containing 12% carbohydrates and electrolytes before each half of a simul

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Publication Date
Sun Mar 01 2026
Journal Name
Civil Engineering Journal
Synergistic Effects of Nano Titanium Dioxide and Nano Zinc Oxide on the Physical and Rheological Properties of Asphalt Binder
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Enhancing asphalt binder performance against anticipated distresses is a critical focus in pavement engineering. This study investigates the synergistic influence of nano titanium dioxide (NT) and nano zinc oxide (NZ) on asphalt binder performance. Nine NT:NZ combinations (1:1 to 3:3) were prepared with 1–3% by binder weight, in addition to a reference binder (RB). The performance test program included; conventional tests (penetration, softening point, viscosity, and ductility), Dynamic Shear Rheometer (DSR) for performance grading, Multiple Stress Creep Recovery (MSCR) for rutting evaluation, and Linear Amplitude Sweep (LAS) for fatigue resistance. Furthermore, Statistical analysis (ANOVA) was performed to determine the significa

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Publication Date
Mon Dec 18 2017
Journal Name
Al-khwarizmi Engineering Journal
Comparative Study of Performance and Emission Characteristics between Spark Ignition Engine and Homogeneous Charge Compression Ignition Engine (HCCI)
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Many researchers consider Homogeneous Charge Compression Ignition (HCCI) engine mode as a promising alternative to combustion in Spark Ignition and Compression Ignition Engines. The HCCI engine runs on lean mixtures of fuel and air, and the combustion is produced from the fuel autoignition instead of ignited by a spark. This combustion mode was investigated in this paper. A variable compression ratio, spark ignition engine type TD110 was used in the experiments. The tested fuel was Iraqi conventional gasoline (ON=82).

The results showed that HCCI engine can run in very lean equivalence ratios. The brake specific fuel consumption was reduced about 28% compared with a spark ignition engine. The experimental tests showed that the em

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Publication Date
Tue Dec 20 2022
Journal Name
Biomedical And Pharmacology Journal
Phytochemical Comparison Study for Evaluating the Hypolipidemic Effect Between Two Iraqi Pepper Spp in the Rats Model.
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Hypercholesterolemia is a predominant risk factor for atherosclerosis and cardiovascular disease (CVD). The World Health Organization (WHO), ) recommended reducing the intake of cholesterol and saturated fats. On the other hand, limited evidence is available on the benefits of vegetables in the diet to reduce these risk factors, so this research was conducted to compare the hypolipidemic effect between the extracts of two different types of Iraqi peppers, the fruit of the genus Capsicum traditionally known as red pepper extract (RPE), and Piper nigrum as black pepper extract (BPE), respectively, in different parameters and histology of the liver of the experimental animals. The red pepper was extracted by ethyl acetate, while the black pepp

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Publication Date
Thu May 01 2025
Journal Name
Journal Of Engineering
Transient Response Investigation of Cross-Ply Plates Using Refined Theory
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Response of cross-ply plates subjected to transient load is obtained using five variables refined plate theory, and four variables plate theory. Equations of motion are derived through the principleof virtual work. Navier series used for simply supported laminated plates. The results of this work are presented for different parameters, such as the ply number, thickness, and modulus ratio with mechanical load (sinusoidal and step pulses), which are compared with those obtained using high-order shear plate theory. Five variables of refined plate theory give results that are considerably different from the four variables of refined plate theory and higher-order theory. The obtained results from the four variables theory have the same behavior

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Publication Date
Mon Dec 31 2018
Journal Name
Journal Of Theoretical And Applied Information Technology
Fingerprints Identification and Verification Based on Local Density Distribution with Rotation Compensation
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The fingerprints are the more utilized biometric feature for person identification and verification. The fingerprint is easy to understand compare to another existing biometric type such as voice, face. It is capable to create a very high recognition rate for human recognition. In this paper the geometric rotation transform is applied on fingerprint image to obtain a new level of features to represent the finger characteristics and to use for personal identification; the local features are used for their ability to reflect the statistical behavior of fingerprint variation at fingerprint image. The proposed fingerprint system contains three main stages, they are: (i) preprocessing, (ii) feature extraction, and (iii) matching. The preprocessi

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Publication Date
Fri Mar 15 2024
Journal Name
Iraqi Statisticians Journal
Estimate a nonparametric copula density function based on probit and wavelet transforms
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This study employs wavelet transforms to address the issue of boundary effects. Additionally, it utilizes probit transform techniques, which are based on probit functions, to estimate the copula density function. This estimation is dependent on the empirical distribution function of the variables. The density is estimated within a transformed domain. Recent research indicates that the early implementations of this strategy may have been more efficient. Nevertheless, in this work, we implemented two novel methodologies utilizing probit transform and wavelet transform. We then proceeded to evaluate and contrast these methodologies using three specific criteria: root mean square error (RMSE), Akaike information criterion (AIC), and log

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Publication Date
Sat Jan 01 2022
Journal Name
Journal Of Energy Storage
Intensifying the thermal response of PCM via fin-assisted foam strips in the shell-and-tube heat storage system
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Publication Date
Sun Oct 02 2016
Journal Name
Journal Of Educational And Psychological Researches
Personality Types According to Holland's Theory and its Relationship with the Management Changing for some Administrators in the Province of Kurdistan-Iraq
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The figure of personality modes determines its privileged style in the use of modern and advanced technological tools in the process of changing and developing in order to keep up with that. The proses of selection and choosing administrators in the appropriate places are the most important functions of senior management because it is easy to adopt factory buildings or establishments But this is a human world as that of machines world. So it is required to have people in the process of changing those who have a time, Knowledge, skill, ability and strong administrative personal skills, those people (leaders) should to put a clear vision for the selection and application of the change efforts and to create the necessary climate and

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Publication Date
Tue Sep 11 2018
Journal Name
Iraqi Journal Of Physics
The antibacterial activity of indium oxide thin film prepared by thermal deposition
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Indium oxide In2O3 thin films fabricated using thermal evaporation of indium metal in vacuum on a glass substrate at 25oC using array mask, after deposition the indium films have been subjected to thermal oxidation at temperature 400 °C for 1h. The results of prepared Indium oxide reveal the oxidation method as a strong effect on the morphology and optical properties of the samples as fabricated. The band gap (Eg) of In2O3 films at 400 °C is 2.7 eV. Then, SEM and XRD measurements are also used to investigate the morphology and structure of the indium oxide In2O3 thin films. The antimicrobial activity of indium oxide In2O3 thin films was assessed against gram-negative bacterium using inhibition zone of bacteria which improved higher ina

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