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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
Fri Sep 30 2011
Journal Name
Iraqi Journal Of Science
Using the band ratio classification method to detect the regions that need to remove sedimentation in Tigris River
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LandSat Satellite ETM+ image have been analyzed to detect the different depths of regions inside the Tigris river in order to detect the regions that need to remove sedimentation in Baghdad in Iraq Country. The scene consisted of six bands (without the thermal band), It was captured in March ٢٠٠١. The variance in depth is determined by applying the rationing technique on the bands ٣ and ٥. GIS ٩. ١ program is used to apply the rationing technique and determined the results.

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Publication Date
Tue Jan 29 2019
Journal Name
Journal Of The College Of Education For Women
Thinking skills and its Relationship to Some Variables to Four Grade Primary School Pupils with Slow Learning Abilities
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The problem of slow learning in primary schools’ pupils is not a local or private one. It is also not related to a certain society other than others or has any relation to a particular culture, it is rather an international problem of global nature. It is one of the well-recognized issues in education field. Additionally, it is regarded as one of the old difficulties to which ancient people gave attention. It is discovered through the process of observing human behaviour and attempting to explain and predict it.
Through the work of the two researchers via frequent visits to primary schools that include special classes for slow learning pupils, in addition to the fact that one of the researcher has a child with slow learning issue, t

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Publication Date
Fri Apr 15 2022
Journal Name
Alustath Journal For Human And Social Sciences
The Intersectionality in I’ve Been Meaning To Tell You: A Letter to My Daughter: A Post-Colonial Perspective
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Intersectionality is a concept that focuses on social inequality towards black people and provides an analytical instruments for creating social justice issues in such a way in order to depict how social marginalization, or privilege occurs differently in various social positions. It does this by focusing on the interaction of multiple systems of oppression. Intersectionality is used to examines how the social factors; race, gender, and class can affect the people’s life especially the immigrants, black people, and refuges. This article will depicts how blacks in Canada are segregated and distinguished from white race. David Chariandy’s I’ve Been Meaning To Tell You: A Letter to My Daughter 2018 is analyzed through Kimberle Crenshaw

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Publication Date
Wed Jan 01 2025
Journal Name
Journal Of Cybersecurity And Information Management
A New Automated System Approach to Detect Digital Forensics using Natural Language Processing to Recommend Jobs and Courses
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A resume is the first impression between you and a potential employer. Therefore, the importance of a resume can never be underestimated. Selecting the right candidates for a job within a company can be a daunting task for recruiters when they have to review hundreds of resumes. To reduce time and effort, we can use NLTK and Natural Language Processing (NLP) techniques to extract essential data from a resume. NLTK is a free, open source, community-driven project and the leading platform for building Python programs to work with human language data. To select the best resume according to the company’s requirements, an algorithm such as KNN is used. To be selected from hundreds of resumes, your resume must be one of the best. Theref

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Publication Date
Wed Jun 01 2011
Journal Name
Journal Of The College Of Languages (jcl)
From Personal Issues to National Concerns: A Study in E.M Forster’s Where Angels Fear to Tread & Howards End
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            E.M. Forster (1879-1970) is one of the important novelists who dealt with the personal and social lives of the people in England during the early beginning of the twentieth century. During his literary career, he developed gradually his views about man and his position in society.

 In his first novel, Where Angels Fear to Tread (1902), the focus is laid on local and personal issues in the lives of the characters. It is limited to the relations between neighbours in small communities. Though the setting is shifted to Italy, Forster does not make full use of this shift to present cultural or racial conflicts; rather he limits his plot to the private tr

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Publication Date
Tue May 01 2018
Journal Name
Journal Of Craniofacial Surgery
Single Session Facial Lipostructure by Using Autologous Fat Mixed With Platelet-Rich Fibrin Injected by Using Facial Autologous Muscular Injection Technique
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Aim:

This study was designed to evaluate the role of single session autologous facial fat grafting in correcting facial asymmetries after mixing it with platelet-rich fibrin (PRF) and injecting them into rich vascular facial muscular plane.

Materials and Methods:

Fifteen patients (12 females and 3 males) with age ranging from 18 years to 40 years were included in this study and followed up during 6 months, all the patients were treated in the Al-Shaheed Ghazi Al-Hariri for specialized surgeries hospital (Medical City, Baghdad, Iraq).

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Publication Date
Fri Dec 30 2022
Journal Name
Journal Of Mathematics
Estimation of Parameters of Finite Mixture of Rayleigh Distribution by the Expectation-Maximization Algorithm
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In the lifetime process in some systems, most data cannot belong to one single population. In fact, it can represent several subpopulations. In such a case, the known distribution cannot be used to model data. Instead, a mixture of distribution is used to modulate the data and classify them into several subgroups. The mixture of Rayleigh distribution is best to be used with the lifetime process. This paper aims to infer model parameters by the expectation-maximization (EM) algorithm through the maximum likelihood function. The technique is applied to simulated data by following several scenarios. The accuracy of estimation has been examined by the average mean square error (AMSE) and the average classification success rate (ACSR). T

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Publication Date
Wed Aug 09 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Vaccination of chicken against Coccidiosis by using live Oocysts of different species of Eimeria
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The study was conducted to vaccinate chickens against coccidiosis  using alive vaccine contain seven species of chicken Eimeria,  E. tenella, E. brunetti, E. necatrix, E. maxima, E. mevati, E. acervulina  and E. praecox.    A total of 120 chicks were divided into two main groups: broiler group and egg laying group.  The birds of each group were allocated on to three pins, each contains 20 chicks.  The birds of the experiment were vaccinated at day nine of age, with a suspension of mixed Eimeria which contain 50 Oocysts of E. tenella with a different percent of other species, respectively.  The vaccine was given to chicks in the 1st pins of each group with drinking water,  the chicks in th

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Publication Date
Thu May 25 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Optical and Structural Properties of SnO2 Thin Films Prepared by Sputtering Method
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SnO2 thin films of different two thicknesses were prepared an glass substrate by DC magnetron sputtering. The crystal structure and orientation of the films were investigated by XRD patterns. All the deposited films are polycrystalline. The grain size was calculated as 25.35, 28.8 nm. Morphological and compositions of the films were performed by SEM and EDX analyses respectively. The films appeared compact and rougher surface in nature. The allowed direct band gap was evaluated as 3.85 eV, and other optical constants such as refractive index, extinction coefficient, real and imaginary parts of dielectric constants were determined from transmittance spectrum in the wavelength range (300-900) nm and also analyzed.
 

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Publication Date
Wed Aug 09 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Optical Properties & Structural of Dioxide Thin Films Prepared by Chemical Spray Pyrolysis
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 X-ray diffraction pattern reveled the tetragonal crystal system of SnO2  Thin films of SnO2 were prepared on glass substrates using Spray Pyrolysis Technique. The absorption and transmition spectra were recorded in the rang of 300-900nm,  the   spectral   dependences   of   absorption coefficient were calculated   from   transmission spectra. The direct and allowed optical  energy gap has been evaluated from plots of   (αhÏ…)²  vs. (hÏ…) . The energy gap was found to be  2.4-2.6eV.  The optical constant such as extinction coefficient( k )  and absorption coefficient ( α) have been evaluated. 

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