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

In this research, Artificial Neural Networks (ANNs) technique was applied in an attempt to predict the water levels and some of the water quality parameters at Tigris River in Wasit Government for five different sites. These predictions are useful in the planning, management, evaluation of the water resources in the area. Spatial data along a river system or area at different locations in a catchment area usually have missing measurements, hence an accurate prediction. model to fill these missing values is essential.
The selected sites for water quality data prediction were Sewera, Numania , Kut u/s, Kut d/s, Garaf observation sites. In these five sites models were built for prediction of the water level and water quality parameters.

Due to its importance in physics and applied mathematics, the non-linear Sturm-Liouville problems
witnessed massive attention since 1960. A powerful Mathematical technique called the Newton-Kantorovich
method is applied in this work to one of the non-linear Sturm-Liouville problems. To the best of the authors’
knowledge, this technique of Newton-Kantorovich has never been applied before to solve the non-linear
Sturm-Liouville problems under consideration. Accordingly, the purpose of this work is to show that this
important specific kind of non-linear Sturm-Liouville differential equations problems can be solved by
applying the well-known Newton-Kantorovich method. Also, to show the efficiency of appl

Let R be a commutative ring with identity 1 and M be a unitary left R-module. A submodule N of an R-module M is said to be approximately pure submodule of an R-module, if for each ideal I of R. The main purpose of this paper is to study the properties of the following concepts: approximately pure essentialsubmodules, approximately pure closedsubmodules and relative approximately pure complement submodules. We prove that: when an R-module M is an approximately purely extending modules and N be Ap-puresubmodulein M, if M has the Ap-pure intersection property then N is Ap purely extending.

the regional and spatial dimension of development planning must be taken as a point of departure to the mutual of the spatial structure of the economy , development strategy and policies applied 'therein such as the location principles and regional development coordination of the territorial problems with the national development planning and timing of regional vis-a-vis national development plan_. Certain balance and integration is of sound necessity' between national _regional and local development objectives through which the national development strategy should have to represent the guidelines of the local development aspirations and goals. The economic development exerts an impact on the spatial evolution, being itself subje

            In this paper, the Normality set  will be investigated. Then, the study highlights some concepts properties and important results. In addition, it will prove that every operator with normality set has non trivial invariant subspace of  .

In this study, an unknown force function dependent on the space in the wave equation is investigated. Numerically wave equation splitting in two parts, part one using the finite-difference method (FDM). Part two using separating variables method. This is the continuation and changing technique for solving inverse problem part in (1,2). Instead, the boundary element method (BEM) in (1,2), the finite-difference method (FDM) has applied. Boundary data are in the role of overdetermination data. The second part of the problem is inverse and ill-posed, since small errors in the extra boundary data cause errors in the force solution. Zeroth order of Tikhonov regularization, and several parameters of regularization are employed to decrease error

In this paper, we designed a new efficient stream cipher cryptosystem that depend on a chaotic map to encrypt (decrypt) different types of digital images. The designed encryption system passed all basic efficiency criteria (like Randomness, MSE, PSNR, Histogram Analysis, and Key Space) that were applied to the key extracted from the random generator as well as to the digital images after completing the encryption process.

Both traditional and novel techniques were employed in this work for magnetic shielding evaluation to shed new light on the magnetic and aromaticity properties of benzene and 12 [n]paracyclophanes with n = 3–14. Density functional theory (DFT) with the B3LYP functional and all-electron Jorge-ATZP and x2c-TZVPPall-s basis sets was utilized for geometry optimization and magnetic shielding calculations, respectively. Additionally, the 6-311+G(d,p) basis set was incorporated for the purpose of comparing the magnetic shielding results. In addition to traditional evaluations such as NICS/NICSzz-Scan, and 2D-3D σiso(r)/σzz(r) maps, two new techniques were implemented: bendable grids (BGs) and cylindrical grids (CGs) of ghost atoms (Bqs). BGs a

Two simple methods for the determination of eugenol were developed. The first depends on the oxidative coupling of eugenol with p-amino-N,N-dimethylaniline (PADA) in the presence of K3[Fe(CN)6]. A linear regression calibration plot for eugenol was constructed at 600 nm, within a concentration range of 0.25-2.50 μg.mL–1 and a correlation coefficient (r) value of 0.9988. The limits of detection (LOD) and quantitation (LOQ) were 0.086 and 0.284 μg.mL–1, respectively. The second method is based on the dispersive liquid-liquid microextraction of the derivatized oxidative coupling product of eugenol with PADA. Under the optimized extraction procedure, the extracted colored product was determined spectrophotometrically at 618 nm. A l