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 em

Functionalized Multi-Walled Carbon Nanotubes (MWCNTs-OH) network with thickness 4μm was made by the vacuum filtration from suspension (FFS) method. The morphology, structure and optical properties of the MWCNTs film were characterized by SEM and UV-Vis. spectra techniques. The SEM images reflected highly ordered network in the form of ropes or bundles with close-packing which looks like spaghetti. The absorbance spectrum revealed that the network has a good absorbance in the UV-Vis. region. The gas sensor system was used to test the MWCNT-OH network to detect NH₃gas at room temperature. The resistance of the sensor was increased when exposed to the NH₃gas. The sensitivities of the network w

Promoting the production of industrially important aromatic chloroamines over transition-metal nitrides catalysts has emerged as a prominent theme in catalysis. This contribution provides an insight into the reduction mechanism of p-chloronitrobenzene (p-CNB) to p-chloroaniline (p-CAN) over the γ-Mo2N(111) surface by means of density functional theory calculations. The adsorption energies of various molecularly adsorbed modes of p-CNB were computed. Our findings display that, p-CNB prefers to be adsorbed over two distinct adsorption sites, namely, Mo-hollow face-centered cubic (fcc) and N-hollow hexagonal close-packed (hcp) sites with adsorption energies of −32.1 and −38.5 kcal/mol, respectively. We establish that the activation of nit

Objectives: To assess the changes in blood vessel stiffness and digital pulse wave amplitude because of flowmediateddilatation, and to explore how these two variables change when endothelial dysfunction isexperimentally induced.Method: The experimental study was conducted at the departments of physiology at the College of Medicine,Mustansiriyah University, and the College of Medicine, Al-Iraqia University, Baghdad, Iraq, from October 14, 2021, toMay 31, 2022, and comprised healthy young males who were subjected to the flow-mediated dilatation techniqueon the left brachial artery. Pulse transit time and the amplitude of the digital pulse wave were measured duringreactive hyperaemia for 2.5 minutes from the left middle finger using a

The first successful implementation of Artificial Neural Networks (ANNs) was published a little over a decade ago. It is time to review the progress that has been made in this research area. This paper provides taxonomy for classifying Field Programmable Gate Arrays (FPGAs) implementation of ANNs. Different implementation techniques and design issues are discussed, such as obtaining a suitable activation function and numerical truncation technique trade-off, the improvement of the learning algorithm to reduce the cost of neuron and in result the total cost and the total speed of the complete ANN. Finally, the implementation of a complete very fast circuit for the pattern of English Digit Numbers NN has four layers of 70 nodes (neurons) o

Experimental and theoretical investigations are presented on flocculation process in pulsator clarifier. Experimental system was designed to study the factors that affecting the performance of pulsator clarifier. These factors were water level in vacuum chamber which range from 60 to 150 cm , rising time of water in vacuum chamber which having times of 20,30 & 40 seconds , and sludge blanket height which having heights of 20,30 & 40 cm .The turbidity and pH of raw water used were 200 NTU and 8.13 respectively. According to the jar test, the alum dose required for this turbidity was 20 mg/l .The performance parameters of pulsator clarifier such as , turbidity ,total solid TS , shear rate , volume concentration of sludge blanket an