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ijs-12325
Studying of Frequencies, Normal Modes of Vibration and Electronic Charge Densities of 5Radialene molecule
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PM3 and DFT (6-311G/ B3LYP) level calculations were carried out for the 5Radialene molecule, which is exhibit D5h symmetry. The obtained equilibrium geometry was applied for the calculation of all 3N−6 vibration frequencies, and for the analysis of its normal coordinates and symmetry species, in addition to some physical properties such as heat of formation, total energy, dipole moment and energy difference of HOMO and LUMO levels (ΔELUMO-HOMO), using Gaussian-03 program. The so calculated frequencies according to DFT (6-311G/ B3LYP) fall in the ranges;
CH2 str. (3016-3098 cm-1), C=C str. (1662-1709cm-1), ring (C-C str.) (1268-1464 cm-1). δCH2 (890-1317cm-1), (δCCC) (562-631cm-1), γCH2 (738-946cm-1) and γring (γCCC) (14-805cm-1), and according to PM3 fall in the ranges;
CH2 str. (3124-3138cm-1), C=C str. (1873-1939cm-1), ring str. (C-C str.) (1289-1430cm-1). δCH2 (946-1503cm-1), (δCCC) (549-777cm-1), γCH2 (673-1007cm-1) and γring (γCCC) (54-785cm-1).
Other interesting correlations were also be obtained for the frequencies of similar vibrations. Distribution of electronic charge density on atoms of 5Radialene molecule were also calculated and studied.

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Publication Date
Thu Feb 01 2018
Journal Name
Journal Of Economics And Administrative Sciences
Use Simulation To Differentiate Between Some Modern Methods To the Model GM(1,1) To Find Missing Values And Estimate Parameters With A Practical Application
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Abstract

       The grey system model GM(1,1) is the model of the prediction of the time series and the basis of the grey theory. This research presents the methods for estimating parameters of the grey model GM(1,1) is the accumulative method (ACC), the exponential method (EXP), modified exponential method (Mod EXP) and the Particle Swarm Optimization method (PSO). These methods were compared based on the Mean square error (MSE) and the Mean Absolute percentage error (MAPE) as a basis comparator and the simulation method was adopted for the best of the four methods, The best method was obtained and then applied to real data. This data represents the consumption rate of two types of oils a he

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Publication Date
Sun Jun 02 2019
Journal Name
Journal Of The College Of Languages (jcl)
Spacio-Temporal Relations in the Translated Text in Both Russian and Arabic: Временные и пространственные отношения с текстом перевода на русском и арабском языках
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 The present paper(Spacio-Temporal Relations in the Translated Text in Both Russian and Arabic) focuses on the spacio-temporal effect in the translated text; it is possible to compose the translation text simultaneously with the  process of the composing the original text. This is carried out during the simultaneous consecutive translation. And, the time and place of composing the translation might greatly differ from the time and place of composing the original textt. The translator may tackle a text of an ancient time and written in a language which might have changed, and may thus appear as another language where the author might have talked on behalf of a people who had lived or are living in apparently different geographic

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Publication Date
Sun Jul 31 2022
Journal Name
Iraqi Journal Of Science
Characterization Studies on Mn(II), Co(II), Ni(II), Cu(II), Zn(II) and Cd(II) Complexes with New Ligands Derived from Anthraquinone Substance
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     This work involves preparation of new metal complexes via reaction of two anthraquinone ligands with Mn(II), Co(II), Ni(II), Cu(II), Zn(II) and Cd(II) metal ions . The ligands are prepared by treatment of 1- and 2-anthraquinone with acetic anhydride.

      The complexes are characterized by different physicochemical methods; microelemental analysis, molar conductivity, FT-IR, UV-Vis spectra and magnetic measurements. The discussion of the outcome data of the prepared complexes indicates that all complexes are octahedral.

      The biological activity properties of the ligands and most of their complexes are studied using gram-positive and gram-negative bacteria, which indicate that only two of th

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Publication Date
Sun May 17 2020
Journal Name
Iraqi Journal Of Science
Numerical Solutions for the Optimal Control Governing by Variable Coefficients Nonlinear Hyperbolic Boundary Value Problem Using the Gradient Projection, Gradient and Frank Wolfe Methods
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This paper is concerned with studying the numerical solution for the discrete classical optimal control problem (NSDCOCP) governed by a variable coefficients nonlinear hyperbolic boundary value problem (VCNLHBVP). The DSCOCP is solved by using the Galerkin finite element method (GFEM) for the space variable and implicit finite difference scheme (GFEM-IFDS) for the time variable to get the NS for the discrete weak form (DWF) and for the discrete adjoint weak form (DSAWF) While, the gradient projection method (GRPM), also called the gradient method (GRM), or the Frank Wolfe method (FRM) are used to minimize the discrete cost function (DCF) to find the DSCOC. Within these three methods, the Armijo step option (ARMSO) or the optimal step opt

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Publication Date
Wed Mar 30 2022
Journal Name
College Of Islamic Sciences
The Imam Shams AL-din Abdulrahman Bin Qudamah AL-Maqdsi (died: 682 A.H) Slections in proving contract annulment choice (AL-tassriah)and its duration
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Abstract

Prais be to Allah the Lord of the Worlds and prayers and peace be upon our faithfull Prophet …. I wrote this Research entitled (The Imam Shams AL-din Abdulrahman Bin Qudamah AL-Maqdsi (died: 682 A.H) Slections in  Slections in proving contract annulment choice (AL-tassriah)and its duration which Iclarrified the reason of choosing this title and my method in writing Morever, a brief  Overriew of the life of Imam Shams AL-din Bin Qudamah and the meaning of (AL-tassriah)and whether it proves to the buyer to return it, beside the duration which (the tassriah) proven, and a conclusion in which I showed the results I reached and some recommendations that some researchers in the field of Jurispruden

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Crossref
Publication Date
Wed Mar 30 2022
Journal Name
College Of Islamic Sciences
Discretionary Punishment (Al-Ta'zir) for the Interest and its Effect in Keeping the Public Regulation A Fundamental Applied Study in the Saudi Arabian Courts
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Discretionary Punishment, Public Regulation, Interest

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Publication Date
Fri Nov 01 2024
Journal Name
Process Safety And Environmental Protection
Optimized ensemble deep random vector functional link with nature inspired algorithm and boruta feature selection: Multi-site intelligent model for air quality index forecasting
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Publication Date
Mon Jul 15 2024
Journal Name
مجلة الدراسات المستدامة
Cyberbullying among academically superior students
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Results: The results summarized two goals, the first goal stipulates (to identify the degree of cyberbullying among academically outstanding students in the middle school stage). To achieve this goal, the researchers applied the research tool (electronic bullying scale) and then extracted the arithmetic mean for the sample of the current research, which amounted to (6.28) with a standard deviation of (4.03). Then the researchers applied the t-test for one sample to identify the significance of the differences between the means. The arithmetic mean for the sample and the hypothetical (theoretical) mean, which amounted to (11.5) degrees, and after applying the T-test for one sample, it was found that the calculated T-value, which amounted to

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Publication Date
Sat Oct 01 2022
Journal Name
Al–bahith Al–a'alami
Online blogging journalism
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The Internet, networks and the means of communication in the world of communication and information have greatly influenced all aspects of the information cycle until things have been turned upside down, and it has even been said that today the world can be separated into two worlds: the world of pre-internet and post-Internet.

 

Perhaps one of the most important data of the Internet in the world of information and journalism is electronic publishing, which comes blogging as one of its forms. Blogs, which have begun slowly in the form of personal diaries, developed and spread on the Internet very quickly and started to have its own universe, the world of blogging. It has begun to make its way in the world of journali

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Publication Date
Wed Nov 07 2018
Journal Name
Iraqi National Journal Of Nursing Specialties
الدوریـات الطبیّة العربیّة الإلكترونیّة دراسـة تقویمیـة
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Objective: The aims of research to identify sample of websites of Arabian medical periodicals and exam applying to
standards for publishing on the internet.
Methodology: A survey method is applied about nine medical periodicals websites and data are collected through
forms include five international standards to assessing websites.
Results: of data collected, the following findings are obtained:
1. Through examining website addresses, unsuitability was found in using Universal Resources Locater, because six of
periodicals use com. in URL. While, all of them not relevance commercial but scientific aim.
2. To measure Credibility Standard by adopting numbers values, the results found, four of periodicals obtained (level

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