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Catalytic Hydrogenation of p-Chloronitrobenzene to p-Chloroaniline Mediated by $γ$-Mo2N
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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 nitro group proceeds through direct pathway along with formation of several reaction intermediates. Most of these intermediaries reside in a significant well-depth in reference to the entrance channel. Central to the constructed mechanism is H-transfer steps from fcc and hcp hollow sites to the NO/–NH groups through modest reaction barriers. Our computed rate constant for the conversion of p-CNB correlates very well with the experimental finding (0.018 versus 0.033 s–1 at ∼500 K). Plotted species profiles via a simplified kinetics model confirms the experimentally reported high selectivity toward the formation of p-CAN at relatively low temperatures. It is hoped that thermokinetics parameters and mechanistic pathways provided herein will afford a molecular level understanding for γ-Mo2N-mediated conversion of halogenated nitrobenzenes into their corresponding nitroanilines; a process that entails significant industrial applications.

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Publication Date
Sun Oct 03 2010
Journal Name
Baghdad Science Journal
On Semi-p-Compact Space
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Publication Date
Sun Dec 05 2010
Journal Name
Baghdad Science Journal
On Semi-p-Compact Space1
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The purpose of this paper is to introduce a new type of compact spaces, namely semi-p-compact spaces which are stronger than compact spaces; we give properties and characterizations of semi-p-compact spaces.

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Publication Date
Fri Jan 20 2023
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Ϣ-Semi-p Open Set :
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Csaszar introduced the concept of generalized topological space and a new open set in a generalized topological space called -preopen in 2002 and 2005, respectively. Definitions of -preinterior and -preclosuer were given. Successively, several studies have appeared to give many generalizations for an open set. The object of our paper is to give a new type of generalization of an open set in a generalized topological space called -semi-p-open set. We present the definition of this set with its equivalent. We give definitions of -semi-p-interior and -semi-p-closure of a set and discuss their properties. Also the properties of -preinterior and -preclosuer are discussed. In addition, we give a new type of continuous function

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Publication Date
Thu Apr 27 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
On Semi-p-Proper Mappings
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  The aim of this paper is to introduce a new type of proper mappings called semi-p-proper mapping by using semi-p-open sets, which is weaker than the proper mapping. Some properties and characterizations of this type of mappings are given.

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Publication Date
Mon Sep 18 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Adenosine DeaminaseActivity IN p - Thalass emia
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The activity ·of adenosine dcaminase enzyn1e· has  been  investigated in   normal  and   thalassaemic  sera.  The  data  obtaiJ1ed were   refl  cts   an elevation  of' the  enzyme   ctivity in thalassaemic samples compared with those  of  healthy  normal objects. The  study  was  carried  out  with  (6.5)PH value  and  37C   as ma.x.Lmum  temperature. This  study  was comprehensive to the electrophopretic behavior of the hemolysate serum   in a step  of electrophoresis analysis of the thalassaemic-and normal  hemoglobin.

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Publication Date
Sat May 01 2010
Journal Name
College Of Education Journal, Al-mustansiriyah University
Artin Characters for the Special Linear Group SL(2,p) where p is a prime number  19
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Publication Date
Thu Feb 23 2023
Journal Name
Chalcogenide Letters
Studying the effect of copper on the p-ZnTe/n-AgCuInSe2/p-Si for thin films solar cell applications
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A thin film of AgInSe2 and Ag1-xCuxInSe2 as well as n-Ag1-xCuxInSe2 /p-Si heterojunction with different Cu ratios (0, 0.1, 0.2) has been successfully fabricated by thermal evaporation method as absorbent layer with thickness about 700 nm and ZnTe as window layer with thickness about 100 nm. We made a multi-layer of p-ZnTe/n-AgCuInSe2/p-Si structures, In the present work, the conversion efficiency (η) increased when added the Cu and when used p-ZnTe as a window layer (WL) the bandgap energy of the direct transition decreases from 1.75 eV (Cu=0.0) to 1.48 eV (Cu=0.2 nm) and the bandgap energy for ZnTe=2.35 eV. The measurements of the electrical properties for prepared films showed that the D.C electrical conductivity (σd.c) increase

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Publication Date
Sat Dec 30 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Charge Transfer Between d-p States in Ti02 By Employing Compton Scattering Techniques
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The com pton profiles for Ti02 have been measured using a SCi

Am-241 compton spectrometer .A pellet of the oxide was prepared from a polycrystalline powder    having a thickness of 1.54 mm ,about J 00000  counts   have   been  accumulated   at   the  compton   peak

.Theoreti cal compton profiles have been calculated for different ionic anangements using free atom compton profile for the core electrons.The   theoretical  and  experimental  results  ahrce  well  for (Ti/4(0 .2    arrangement which support complete transfer of valence electrons from metal to oxygen ions, i.e., full ionic &nbs

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Publication Date
Thu May 04 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Degree of Monotone Approximation in , p Lα Spaces
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The aim of this paper is to study the best approximation of unbounded functions in the
weighted spaces
,
1, 0 ,
p
p L α
α ≥>.
Key Words: Weighted space, unbounded functions, monotone approximation

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Publication Date
Mon Jun 17 2024
Journal Name
Sabir. International Bulletin Of Applied Linguistics
<p>ANÁLISIS DE LAS DIFICULTADES LÉXICAS DE LOS APRENDICES IRAQUÍES DEL ESPAÑOL COMO LENGUA EXTRANJERA</p>
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En el contexto iraquí, el análisis de las dificultades léxicas de los estudiantes de ELE es fundamental para poder llevar a cabo prácticas que respondan dos necesidades concretas. Por un lado, ofrecer experiencias de aula que garanticen el desarrollo de competencias comunicativas que optimicen el uso adecuado de la lengua española (L2); por otro, atender a las exigencias que se hacen desde el PCIC y el MCER para tener unos parámetros claros de evaluación. Así las cosas, en este artículo se propone la caracterización de la competencia léxica como parte de las competencias lingüísticas desde la perspectiva del MCER, para señalar cuál es el alcance de su optimización para los estudiantes arabófonos en general y los ira

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