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IR Spectra of Entrance and Exit Channels of Methane Molecule and Oxygen Atom Reaction at MP2 Theory
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     IR spectra of entrance and exit channels of methane and radical oxygen reaction are predicted in the ground state energy. Ab initio calculations at perturbation theory (MP2) with Dunning correction- consistent basis set (aug-cc-pVDZ) have been used. The calculations predicted structures, vibrational frequencies and potential energy surface. Three van der Waals minima from three adiabatic potential energy surfaces have been predicted in entrance and exit channels. Vibration frequency of 3209 cm-1 and 3212 cm-1 of C-H stretching in entrance structures are predicted while O-H vibrational frequency is predicted to be at 3673 cm-1 in the other channel. The lowest energy structure in entrance channel has - 0.18 kJ/ mol minimum energy.

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Publication Date
Sun Dec 07 2014
Journal Name
Baghdad Science Journal
Calculation of Radial Density Distribution Function for main orbital of Carbon atom and Carbon like ions
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Radial density distribution function of one particle D(r1) was calculated for main orbital of carbon atom and carbon like ions (N+ and B- ) by using the Partitioning technique .The results presented for K and L shells for the Carbon atom and negative ion of Boron and positive ion for nitrogen ion . We observed that as atomic number increases the probability of existence of electrons near the nucleus increases and the maximum of the location r1 decreases. In this research the Hartree-fock wavefunctions have been computed using Mathcad computer software .

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Publication Date
Sat Apr 13 2024
Journal Name
Journal Of Optics
Analysis of laser induced breakdown spectra for distinguish between healthy and carious teeth
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Dielectric barrier discharges (DBD) can be described as the presence of contact with the discharge of one or more insulating layers located between two cylindrical or flat electrodes connected to an AC/pulse dc power supply. In this work, the properties of the plasma generated by dielectric barrier discharge (DBD) system without and with a glass insulator were studied. The plasma was generated at a constant voltage of 4 kV and fixed distance between the electrodes of 5 mm, and with a variable flow rate of argon gas (0.5, 1, 1.5, 2 and 2.5) L/min. The emission spectra of the DBD plasmas at different flow rates of argon gas have been recorded. Boltzmann plot method was used to calculate the plasma electron temperature (Te), and Stark broadeni

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Publication Date
Mon Mar 01 2021
Journal Name
Journal Of Physics: Conference Series
Maxwellian-Averaged Neutron Capture Cross-Sections and Thermonuclear Reaction Rates for 56,57,58Fe, 59Co, And 60Ni Isotopes at Astrophysical Energies
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Abstract<p>Initially-produced isotopes during the course of the <italic>s</italic>-process have a significant impact on the continuity and branching network of this process. Such isotopes can undergo various neutron capture mechanisms, of which (n, <italic>γ</italic>) is important. In this research, the direct, thermal, and Maxwellian-averaged cross section (MACS), as well as the astrophysical reaction rates of the radiative neutron-capture reactions, were calculated for <sup>56,57,58</sup>Fe, <sup>59</sup>Co, and <sup>60</sup>Ni isotopes. At kinetic energies between kT = 0.037 and 482.3 keV, corresponding to astrophysical temperature in the ran</p> ... Show More
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Publication Date
Wed Nov 01 2017
Journal Name
Nano Hybrids And Composites
Photodetection of Near and Middle IR Lasers by f-MWCNTs/Polythiophen Nanocomposite Detector
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The combination of carbon nanotubes (CNT) and conducting polymers offers an attractive route for the production of novel compounds that can be used in a variety of applications such as sensors, actuators, and molecular scale electronic devices. In this work, functionalized multiwall carbon nanotubes (f-MWCNTs) were added in different load ratios (3 wt%, 5 wt% and 10 wt%) to thiophen (PTh) polymer to procedure PTh/CNTs nanocomposite and deposited on porous silicon substrate by electropolarization. Photoconductive detectors were fabricated using PTh/f-MWCNTs matrix to work in the near region and middle IR regions. These detectors were illuminated by semiconductor laser diode wavelength of 808(nm) and Nd-YAG laser of wavelength 1064 (n

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Publication Date
Sun Sep 01 2013
Journal Name
Baghdad Science Journal
Theoretical Study of Thermal Cracking For Acenaphthylene Molecule
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Density Functional Theory (DFT) calculations were carried out to study the thermal cracking for acenaphthylene molecule to estimate the bond energies for breaking C8b-C5a , C5a-C5 , C5-C4 , and C5-H5 bonds as well as the activation energies. It was found that for C8b-C5a , C5-C4 , and C5-H5 reactions it is often possible to identify one pathway for bond breakage through the singlet or triplet states. The atomic charges , dipole moment and nuclear – nuclear repulsion energy supported the breakage bond .Also, it was found that the activation energy value for C5-H5 bond breakage is lower than that required for C8b-C5a , C5a-C5 , C5-C4 bonds which refer to C5-H5 bond in acenaphthylene molecule are weaker than C8b-C5a , C5a-C5 , C5-C

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Publication Date
Tue Dec 24 2024
Journal Name
Journal Of Physical Education
The Contribution of Ball Launching and Ring Entrance Angle Variables in 3 points Jump Shot in Basketball
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The research aimed at identifying the values of ball launch and ring entrance angle and relations among them as well as identifying the contribution of ball launch and angle variables in 3 point jump in basketball. The researchers hypothesized statistical relation between ball launch and entrance angle. They used the descriptive method on (10) basketball players best known for their 3 point jump shot. Each player is given (10) attempts and only attempts with a larger entrance angle in recorded. The results showed that the height of ball launch players an integral role in decreasing entrance angle as well as ball launch angle did not correlate with the entrance angle. Finally, ball launch variables have no effect or contribution on ball entr

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Publication Date
Tue Sep 28 2021
Journal Name
Journal Of Physical Education
The Contribution of Ball Launching and Ring Entrance Angle Variables in 3 points Jump Shot in Basketball
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    The research aimed at identifying the values of ball launch and ring entrance angle and relations among them as well as identifying the contribution of ball launch and angle variables in 3 point jump in basketball. The researchers hypothesized statistical relation between ball launch and entrance angle. They used the descriptive method on (10) basketball players best known for their 3 point jump shot. Each player is given (10) attempts and only attempts with a larger entrance angle in recorded. The results showed that the height of ball launch players an integral role in decreasing entrance angle as well as ball launch angle did not correlate with the entrance angle. Finally, ball launch variables have no effect or contribution on ba

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Publication Date
Sun Dec 07 2014
Journal Name
Baghdad Science Journal
Modeling and optimum design band pass filter for mid IR region
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In this study, we design narrow band pass filter for window (3_5) ?m dependent on the needle optimization method , and a comparison with global designs published -Also, the effect of change parameter design on the optical performance of filter was studded and being able to overcome the difficulties of the design.In this study, the adoption of homogeneous optical properties materials as thin film depositing on a substrate of germanium at wavelength design (? = 4 ?m). For design this kind of filters we used advanced computer program (Matlab )to build a model design dependent both matrix characteristic and Needle technique. In this paper we refer to the type of Mert function , which is used for correct optical performance acces

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Publication Date
Tue Jun 01 2021
Journal Name
Baghdad Science Journal
The Energy Spectra and Heat Capacity of GaAs Gaussian Quantum Dot in an External Magnetic Field
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In this paper, a theoretical study of the energy spectra and the heat capacity of one electron quantum dot with Gaussian Confinement in an external magnetic field are presented. Using the exact diagonalization technique, the Hamiltonian of the Gaussian Quantum Dot (GQD) including the electron spin is solved. All the elements in the energy matrix are found in closed form. The eigenenergies of the electron were displayed as a function of magnetic field, Gaussian confinement potential depth and quantum dot size. Explanations to the behavior of the quantum dot heat capacity curve, as a function of external applied magnetic field and temperature, are presented.

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Publication Date
Thu Dec 31 2020
Journal Name
College Of Islamic Sciences
Religion and atheism suspicions and reaction.
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This research is about his life in his life. The Status of the Import of the Arts of Information. And the danger lies in the effects that translate in the lives of people from the occurrence of the second life or not to occur, the experimentalists claim in this matter is not tangible and not tried in a sense not proven by science through experience and analysis All that is proven by science from this road is committed to it, and unless proven from this path no one has the right to speak it, and in their view, this is not the way to prove knowledge and facts. The search is based on the consideration of the origin of knowledge. Is it possible to prove without experience something or not? The question is whether religion has a basis

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