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Catalytic Hydrogenation of <i>p</i>-Chloronitrobenzene to <i>p</i>-Chloroaniline Mediated by γ-Mo<sub>2</sub>N
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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 Dec 04 2011
Journal Name
Baghdad Science Journal
L-pre- and L-semi-P- compact Spaces
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The purpose of this paper is to study a new types of compactness in the dual bitopological spaces. We shall introduce the concepts of L-pre- compactness and L-semi-P- compactness .

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Publication Date
Sun Jul 31 2022
Journal Name
Iraqi Journal Of Science
Mathematical Analysis of Peristaltic Pumps for Fene-P model subject to Hall and Joule impact
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    A mathematical model is developed to discuss the impact of the Hall current and the Joule heating on the peristaltic flux of finitely extensible nonlinear elastic Peterlin (FENE-P) fluid in a tapered tube with mild stenosis. The fluid movement  along the wall surface resulted from the sinusoidal wave flowing with constant speed. Conditions of velocity and thermal slip are applied. Lubrication approximation is adopted to modify the governing flow problem. To discover the solution to a system of equations, the regular perturbation approach is used. The effects of the different physical parameters are debated and graphically shown in a set of figures. It is discovered that as the Hall current parameter is increased and the Hartman n

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Publication Date
Mon Sep 21 2020
Journal Name
Iraqi Journal For Electrical And Electronic Engineering
Emotion Recognition Based on Mining Sub-Graphs of Facial Components
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Facial emotion recognition finds many real applications in the daily life like human robot interaction, eLearning, healthcare, customer services etc. The task of facial emotion recognition is not easy due to the difficulty in determining the effective feature set that can recognize the emotion conveyed within the facial expression accurately. Graph mining techniques are exploited in this paper to solve facial emotion recognition problem. After determining positions of facial landmarks in face region, twelve different graphs are constructed using four facial components to serve as a source for sub-graphs mining stage using gSpan algorithm. In each group, the discriminative set of sub-graphs are selected and fed to Deep Belief Network (DBN) f

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Publication Date
Wed Jul 05 2023
Journal Name
Thesis
P-Rational Submodules and Certain Types of Polyform Modules
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The main objective of this thesis is to study new concepts (up to our knowledge) which are P-rational submodules, P-polyform and fully polyform modules. We studied a special type of rational submodule, called the P-rational submodule. A submodule N of an R-module M is called P-rational (Simply, N≤_prM), if N is pure and Hom_R (M/N,E(M))=0 where E(M) is the injective hull of M. Many properties of the P-rational submodules were investigated, and various characteristics were given and discussed that are analogous to the results which are known in the concept of the rational submodule. We used a P-rational submodule to define a P-polyform module which is contained properly in the polyform module. An R-module M is called P-polyform if every es

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Publication Date
Sat Feb 01 2020
Journal Name
Energy Reports
Photoelectric properties of SnO2: Ag/P–Si heterojunction photodetector
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N-type Tin dioxide thin films with thickness (350 nm) prepared by thermal evaporation method. The thin film SnO2 was doped with Ag by the rate (0.01, 0.02 and 0.03). Atomic Force Microscopic (AFM) was adopted to determine the grain size and roughness of the film surface. The electrical properties were determined by mean of Hall Measurement system and mobility was calculated. SnO2: Ag/P–Si photodetectors demonstration the highest described visible responsivity of (0.287 A/W) with the Ag ratio of (0.03). I–V characteristics with different power density were measured. The best sensitive value of the spectral response, specific detectivity and quantum efficiency at wavelength (422 nm).

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Publication Date
Fri Jan 26 2024
Journal Name
Iraqi Journal Of Science
Calculation of The Nuclear Matter Density Distributions and Form Factors For The Ground State of P 12 PBe and P 14 PBe Nuclei
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The ground state charge, neutron and matter densities for two-neutron halo nuclei P
12
PBe
and P
14
PBe are calculated within a two- frequency shell model approach. In the description of
the halo nuclei it is important to take into account a model space for P
10
PBe and P
12
PBe different
from the two halo neutrons which have to be treated separately in order to explain their
properties. The structures of the halo P
12
PBe and P
14
PBe nuclei show that the dominant
configurations when the two halo neutrons distributed over the 1d shell orbits. Elastic
Coulomb scattering form factors of these two exotic nuclei are also studied through the
combination of the density distributions of

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Publication Date
Sun Jul 04 2010
Journal Name
Journal Of The Faculty Of Medicine Baghdad
mRNA in situ hybridization analysis of p-53 cancer suppression gene and Bcl-2 oncogene in chronic lymphocytic leukemia
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Background: Several factors render chronic lymphocytic leukemia (CLL) an interesting subject for study by researchers. These include marked progress in understanding the molecular biology of normal and neoplastic lymphocytes and recent advances in molecular genetics techniques. Among molecular markers, p53 cancer suppressor gene and the antiapoptotic gene Bcl-2 have been widely studied. 
Patients and methods: A retrospective cross-sectional study done on 60 patients with chronic lymphocytic leukemia compared with 20 controls (anemic patients), all recruited at the Medical City Teaching Hospital laboratories from January 2004 to December 2007. The bone marrow biopsy of each was re-examined histologica

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Publication Date
Wed Jul 20 2022
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Some Properties for the Restriction of P^*-field of Sets
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The restriction concept is a basic feature in the field of measure theory and has many important properties. This article introduces the notion of restriction of a non-empty class of subset of the power set on a nonempty subset of a universal set. Characterization and examples of the proposed concept are given, and several properties of restriction are investigated. Furthermore, the relation between the P*–field and the restriction of the P*–field is studied, explaining that the restriction of the P*–field is a P*–field too. In addition, it has been shown that the restriction of the P*–field is not necessarily contained in the P*–field, and the converse is true. We provide a necessary condition for the P*–field to obtain th

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Publication Date
Sun Jan 01 2023
Journal Name
Aip Conference Proceedings
E-small prime sub-modules and e-small prime modules
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Publication Date
Wed Oct 01 2014
Journal Name
2014 44th European Microwave Conference
A low magnetic bias sub-millimetre wave semiconductor junction circulator
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