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Comparison of Physical Properties, Energetic, Vibration Frequencies and Normal Coordinates, for Construction Units of Fullerene C60 Using Quantum Mechanical Calculations

PM3 semiempirical method and Density Functional Theory (DFT) calculations of the type (B3LYP) and a Gaussian basis set (6-311G) were carried out for fullerene C60 molecule with its construction units (5radialene, 1,2,3-trimethylene indan, and corannulene), to evaluate the geometrical structure (bond lengths, symmetry, and energetic such as heat of formation ΔH0f, total energy Etot., dipole moment μ, EHOMO (highest occupied molecular orbital energy), ELUMO (lowest unoccupied molecular orbital energy), energy gap ΔEHOMO-LUMO), the distribution of electron density and vibration frequencies, all at their equilibrium geometries. Assignment of the vibrations modes was done according to the movement of the atoms as a result of DFT calculation using Gaussian program view. Comparison was done for the distribution of electron density with the expense of vibration frequencies and for the relationship of all the physical and electronic properties of fullerene C60 with its construction units.

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Publication Date
Sat Sep 30 2023
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Identifying Average Reservoir Pressure in Multilayered Oil Wells Using Selective Inflow Performance (SIP) Method

The downhole flow profiles of the wells with single production tubes and mixed flow from more than one layer can be complicated, making it challenging to obtain the average pressure of each layer independently.  Production log data can be used to monitor the impacts of pressure depletion over time and to determine average pressure with the use of Selective Inflow Performance (SIP). The SIP technique provides a method of determining the steady state of inflow relationship for each individual layer. The well flows at different stabilized surface rates, and for each rate, a production log is run throughout the producing interval to record both downhole flow rates and flowing pressure. PVT data can be used to convert measured in-situ r

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Publication Date
Wed Apr 01 2020
Journal Name
Plant Archives
Land cover change detection using satellite images based on modified spectral angle mapper method

This research depends on the relationship between the reflected spectrum, the nature of each target, area and the percentage of its presence with other targets in the unity of the target area. The changes occur in Land cover have been detected for different years using satellite images based on the Modified Spectral Angle Mapper (MSAM) processing, where Landsat satellite images are utilized using two software programming (MATLAB 7.11 and ERDAS imagine 2014). The proposed supervised classification method (MSAM) using a MATLAB program with supervised classification method (Maximum likelihood Classifier) by ERDAS imagine have been used to get farthest precise results and detect environmental changes for periods. Despite using two classificatio

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Publication Date
Tue Sep 25 2018
Journal Name
Iraqi Journal Of Science
Refractive Index Sensor Based on Micro- Structured Optical Fibers with Using Finite Element Method

In this paper a refractive index sensor based on micro-structured optical fiber has been proposed using Finite Element Method (FEM). The designed fiber has a hexagonal cladding structure with six air holes rings running around its solid core.  The air holes of fiber has been infiltrated  with different liquids such as water , ethanol, methanol, and toluene then sensor characteristics like ; effective refractive index , confinement loss, beam profile of the fundamental mode, and sensor resolution are investigated by employing the FEM. This designed sensor characterized by its low confinement loss and high resolution so a small change in the analyte refractive index could be detect which is could be useful to detect the change of

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Publication Date
Mon Aug 26 2019
Journal Name
Iraqi Journal Of Science
Treatment isolated fungi from laboratory tools in some Baghdad hospitals by using biosynthesized nanoparticles

The study aims to biosynthesized of sliver nanoparticle from aqueous extract of olive leave and evaluate the effectiveness of the synthesis AgNPs against isolated fungi. The study mediating fifty samples were taken from various tools in laboratory from five hospitals in Baghdad. Four species of fungi were identified depending on the morphological and microscopic characteristics. The most common isolated fungi based on their frequency ratio were as follows Aspergillus niger 87.5%, Aspergillus flavus 62.5%, Aspergillus fumigatus 53.5% and Aspergillus nidulans 37.7%.The Biosynthesis of silver nanoparticle developed a rapid, eco-friendly and convenient green method for the stable silver nanoparticles (AgNP

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Publication Date
Fri Sep 01 2023
Journal Name
Iraqi Journal Of Physics
Photometry Technique to Map Elements’ Distribution on Comets’ Nuclei Surfaces Using a New Method

This study is unique in this field. It represents a mix of three branches of technology: photometry, spectroscopy, and image processing. The work treats the image by treating each pixel in the image based on its color, where the color means a specific wavelength on the RGB line; therefore, any image will have many wavelengths from all its pixels. The results of the study are specific and identify the elements on the nucleus’s surface of a comet, not only the details but also their mapping on the nucleus. The work considered 12 elements in two comets (Temple 1 and 67P/Churyumoy-Gerasimenko). The elements have strong emission lines in the visible range, which were recognized by our MATLAB program in the treatment of the image. The percen

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Publication Date
Sun Jan 01 2017
Journal Name
Ieee/acm Transactions On Audio, Speech, And Language Processing
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Publication Date
Thu Jun 01 2017
Journal Name
International Journal Of Heat And Mass Transfer
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Publication Date
Sat Sep 30 2023
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Identifying Average Reservoir Pressure in Multilayered Oil Wells Using Selective Inflow Performance (SIP) Method

The downhole flow profiles of the wells with single production tubes and mixed flow from more than one layer can be complicated, making it challenging to obtain the average pressure of each layer independently.  Production log data can be used to monitor the impacts of pressure depletion over time and to determine average pressure with the use of Selective Inflow Performance (SIP). The SIP technique provides a method of determining the steady state of inflow relationship for each individual layer. The well flows at different stabilized surface rates, and for each rate, a production log is run throughout the producing interval to record both downhole flow rates and flowing pressure. PVT data can be used to convert measured in-situ rates

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Publication Date
Sun Dec 01 2013
Journal Name
Journal Of Economics And Administrative Sciences
Using Time Series Methods To Modify The Seasonal Variations in the Consumer Price Index

     As is  known that the consumer price index (CPI) is one of the most important  price indices because of its direct effect on the welfare of the individual and his living.

       We have been address the problem of Strongly  seasonal  commodities in calculating  (CPI) and identifying some of the solution.

   We have  used an actual data  for a set of commodities (including strongly seasonal commodities) to calculate the index price by using (Annual Basket With Carry Forward Prices method) . Although this method can be successfully used in the context of seasonal&nbs

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Publication Date
Fri Dec 01 2023
Journal Name
Baghdad Science Journal
Solving the Hotdog Problem by Using the Joint Zero-order Finite Hankel - Elzaki Transform

This paper is concerned with combining two different transforms to present a new joint transform FHET and its inverse transform IFHET. Also, the most important property of FHET was concluded and proved, which is called the finite Hankel – Elzaki transforms of the Bessel differential operator property, this property was discussed for two different boundary conditions, Dirichlet and Robin. Where the importance of this property is shown by solving axisymmetric partial differential equations and transitioning to an algebraic equation directly. Also, the joint Finite Hankel-Elzaki transform method was applied in solving a mathematical-physical problem, which is the Hotdog Problem. A steady state which does not depend on time was discussed f

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