Based on the density functional theory (DFT) , the stability of molecular complexes has been predicted according to hard-soft acid base (HSAB) theory. Relative stability of products and reactivity of soft base sulfide derivatives with halogens (Iodine , Bromine , Chlorine) as soft acid was studied to determine the relative ability of these reactants causing the reaction to be more spontaneous.
DFT at the levels of B3LYP/3-21G and B3LYP/3-21G (d) was used to study HOMO LUMO energy gaps , bonds length and total energy to calculate the softness sequence of each type of acid or base mentioned in this work. All cases studied prove that iodine can be considered as the most softness acid and ethyl methyl sulfide≈ dimethyl sulfide the most softness bas
المستودع الرقمي العراقي. مركز المعلومات الرقمية التابع لمكتبة العتبة العباسية المقدسة
In this paper, we introduce and discuss an algorithm for the numerical solution of two- dimensional fractional dispersion equation. The algorithm for the numerical solution of this equation is based on explicit finite difference approximation. Consistency, conditional stability, and convergence of this numerical method are described. Finally, numerical example is presented to show the dispersion behavior according to the order of the fractional derivative and we demonstrate that our explicit finite difference approximation is a computationally efficient method for solving two-dimensional fractional dispersion equation
This paper is concerned with finding the approximation solution (APPS) of a certain type of nonlinear hyperbolic boundary value problem (NOLHYBVP). The given BVP is written in its discrete (DI) weak form (WEF), and is proved that it has a unique APPS, which is obtained via the mixed Galerkin finite element method (GFE) with implicit method (MGFEIM) that reduces the problem to solve the Galerkin nonlinear algebraic system (GNAS). In this part, the predictor and the corrector technique (PT and CT) are proved convergent and are used to transform the obtained GNAS to linear (GLAS ), then the GLAS is solved using the Cholesky method (ChMe). The stability and the convergence of the method are studied. The results
... Show MoreThe linear instability and nonlinear stability analyses are performed for the model of bidispersive local thermal non-equilibrium flow. The effect of local thermal non-equilibrium on the onset of convection in a bidispersive porous medium of Darcy type is investigated. The temperatures in the macropores and micropores are allowed to be different. The effects of various interaction parameters on the stability of the system are discussed. In particular, the effects of the porosity modified conductivity ratio parameters, and , with the int
... Show MoreThis paper has the interest of finding the approximate solution (APPS) of a nonlinear variable coefficients hyperbolic boundary value problem (NOLVCHBVP). The given boundary value problem is written in its discrete weak form (WEFM) and proved have a unique solution, which is obtained via the mixed Galerkin finite element with implicit method that reduces the problem to solve the Galerkin nonlinear algebraic system (GNAS). In this part, the predictor and the corrector techniques (PT and CT, respectively) are proved at first convergence and then are used to transform the obtained GNAS to a linear GLAS . Then the GLAS is solved using the Cholesky method (ChMe). The stability and the convergence of the method are stud
... Show MoreLocal news is an important topic of the press because of its importance to readers. It touches their daily life in one way or another, which makes them interested in and followers of them. Hence the importance of local news, as it interests a wide segment of readers.
There are many sources of newspapers for obtaining local news, as these sources are distributed to the newspaper's own sources and external sources.
Self-sources are the newspaper's own sources, through which it is possible to obtain this news, such as the representatives of the newspaper and its correspondents and the journalists working in it. This is the example in this way.
The external sources are distributed to local and international news agencies and sa
Quinolones L1 (ciprofloxacin) are manufactured wide range anti-infection agents with great oral ingestion and magnificent bioavailability. Because of the concoction capacities found on their core (a carboxylic corrosive capacity at the 3-position) and much of the time an essential piperazinyl ring (or anothertN-heterocycle) at the 7-positionh and a carbonylvoxygenc atomi atothel 4-positioni) quinolones bind metal particlesiframing buildings which can go about as bidentate. Bidentateiligands L2=2-phenyl-2-(P-methoxy anilinee) acetonitrilel was set up by the response of Primiryiaminejwithjbenzaldehyde, in nearness of potassiumbcyanidej and acidicimedia . Theimetalledifices were portrayed by the miniaturized scale component examination (C.H
... Show MoreThe research seeks to find out the extent of the coverage of the Mosul press to the issues of psychological and social effects of the organization "IS" on the community of Mosul, by analyzing the content of the newspapers “Economic City” and “Mosul News”. As well as to stand at the types of psychological and social effects and their repercussions on the Mosul community including figures, statistics and evidence that were covered in the theoretical study of these topics.
This study is the first scientific diagnosis to reveal the size and types of psychological and social effects of the “ISIS” organization through what was monitored by the Mosul press. The study seeks to draw the attention of officials, decision-m
... Show MoreOur research comes to shed light on Iraqi literature as literature that arose in special circumstances alongside foreign literature. Using comparative research methods, we chose to highlight two distinguished writers, who have their mark in the world of literature. The first is the Iraqi writer Maysaloun Hadi, who is considered an icon of Iraqi feminist literature, and the second is the French writer Le Clézieu, who won the Nobel in 2008. We will see through the research how the two authors expressed their views of modernity and urbanism. And how each of them separately portrayed the psychological and moral projections that formed the essence of man today.
Résumé
Notre recherche abord un des points inc
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