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jih-2794
Calculate the Thermal Properties of (S2F2) Using Semi-empirical Quantum Mechanics (MNDO / PM3)
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In this paper, thermal properties were performed by using semi-empirical theoretical calculations to study the molecular structure of a nonlinear molecular system, the (S2F2) molecule in the infrared region, by using semi-empirical quantum programs in the (MNDO / PM3) method. This study is under the condition of obtaining the stable structure of the molecule in which the molecule obtains the minimum value of the total energy. The thermodynamic properties were also calculated, including the heat of formation, whose value was (-61.002kcal / mol),  the entropy and its value (78.2916 cal / mol.k), as well as the heat capacity  (15.9454 cal / mol.k) and the enthalpy (3763.434 cal /mol),  Gibbs Free Energy, it was valued at (-19567.5 cal / mol), these values ​​were taken at the standard temperature 298 k, withdrawing these relationships in graphs and showing the changes in the state That the molecule passes through, and comparing these values with the experimental results.

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Publication Date
Fri Dec 01 2023
Journal Name
Iraqi Journal Of Physics
Study of the Optical Properties of 3MPA CdTe and 3MPA CdTe/CdSe Quantum Dots at PH 12 in Different Periods of Time
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This research aims to study the optical characteristics of semiconductor quantum dots (QDs) composed of CdTe and CdTe/CdSe core-shell structures. It utilizes the refluxed method to synthesize these nanoscale particles and aims to comprehend the growth process by monitoring their optical properties over varied periods of time and pH 12. Specifically, the optical evolution of these QDs is evaluated using photoluminescence (PL) and ultraviolet (UV) spectroscopy. For CdTe QDs, a consistent absorbance and peak intensity increase were observed across the spectrum over time. Conversely, CdTe/CdSe QDs displayed distinctive absorbance and peak intensity variations. These disparities might stem from irregularities in forming selenium (Se) layers a

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Publication Date
Fri Jan 20 2023
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Quasi Semi and Pseudo Semi (p,E)-Convexity in Non-Linear Optimization Programming
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The class of quasi semi -convex functions and pseudo semi -convex functions are presented in this paper by combining the class of -convex functions with the class of quasi semi -convex functions and pseudo semi -convex functions, respectively. Various non-trivial examples are introduced to illustrate the new functions and show their relationships with -convex functions recently introduced in the literature. Different general properties and characteristics of this class of functions are established. In addition, some optimality properties of generalized non-linear optimization problems are discussed. In this generalized optimization problems, we used, as the objective function, quasi semi -convex (respectively, strictly quasi semi -convex

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Publication Date
Mon Mar 08 2021
Journal Name
Baghdad Science Journal
The Study of properties structure and some optical properties forcopper Oxid (CuO) Thin film prepared by thermal evaporation in Vacume
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in this paper copper oxide (cuO thin films were prepared by the method of vacum thermal evaporation a pressure.

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Publication Date
Sun Jun 23 2019
Journal Name
Journal Of The College Of Basic Education
Numerical Solution of Non-linear Delay Differential Equations Using Semi Analytic Iterative Method
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Publication Date
Tue Oct 25 2022
Journal Name
Aip Conference Proceedings
Consequence of violet laser irradiation on the optical properties of mawsoniteCu6Fe2SnS8 [CFTS] thin films deposited via semi-computerized spray pyrolysis technique
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Publication Date
Fri Aug 02 2024
Journal Name
Quantum Studies: Mathematics And Foundations
Implementation of a modified noise-free and noisy multistage quantum cryptography protocol using QISKIT
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Classical cryptography systems exhibit major vulnerabilities because of the rapid development of quan tum computing algorithms and devices. These vulnerabilities were mitigated utilizing quantum key distribution (QKD), which is based on a quantum no-cloning algorithm that assures the safe generation and transmission of the encryption keys. A quantum computing platform, named Qiskit, was utilized by many recent researchers to analyze the security of several QKD protocols, such as BB84 and B92. In this paper, we demonstrate the simulation and implementation of a modified multistage QKD protocol by Qiskit. The simulation and implementation studies were based on the “local_qasm” simulator and the “FakeVigo” backend, respectively. T

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Publication Date
Sat May 01 2021
Journal Name
Journal Of Physics: Conference Series
Investigating of Charge Transfer in Cu/F8 Using Donor-Acceptor Model due Quantum Transition
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in this paper, we study and investigate a simple donor-acceptor model for charge transfer formation using a quantum transition theory. The transfer parameters which enhanced the charge transfer and the rate of the charge transfer have been calculated. Then, we study the net charge transfer through interface of Cu/F8 contact devices and evaluate all transfer coefficients. The charge transfer rate of transfer processes is found to be dominated in the low orientation free energy and increased a little in decreased potential at interface comparison to the high potential at interface. The increased transition energy results in increasing the orientation of Cu to F8. The transfer in the system was more active when the system has large driving for

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Publication Date
Sun May 14 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Calculate of the Rate Constant of Electron Transfer in TiO2 – Safranine Dye System
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         A theoretical calculations of the rate constant of electron transfer (ET) in a dye – semiconductor system with variety solvent are applied on system contains safranineT dye with TiO2 in many solvents like water, 1-propanol, Formamide, Acetonitrile and Ethanol.

    A matlap program has been written to evaluate many parameters such that, the solvent reorganization energy, effective free energy, activation free energy, coupling matrix element and the rate constant of electron transfer.

    The results of the rate constant of electron transfer calculated theoretically are in a good agreement with experimental and theoretical value

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Publication Date
Wed Sep 12 2018
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Thickness Influence on Structural and Optical Properties of ZnO Thin Films Prepared by Thermal Evaporation
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  A thermal evaporation technique was used to prepare ZnO thin films. The samples were prepared with good quality onto a glass substrate and using Zn metal. The thickness varied from (100 to 300) ±10 nm. The structure and optical properties of the ZnO thin films were studied. The results of XRD spectra confirm that the thin films grown by this technique have hexagonal wurtzite, and also aproved that ZnO films have a polycrystalline structure. UV-Vis measurement, optical transmittance spectra, showed high transmission about 90% within visible and infrared range. The energy gap is found to be between 3.26 and 3.14e.V for 100 to 300 nm thickness respectivly. Atomic Force Microscope AFM (topographic image ) shows the grain size incre

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Publication Date
Fri Jan 20 2023
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Ϣ-Semi-p Open Set :
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Csaszar introduced the concept of generalized topological space and a new open set in a generalized topological space called -preopen in 2002 and 2005, respectively. Definitions of -preinterior and -preclosuer were given. Successively, several studies have appeared to give many generalizations for an open set. The object of our paper is to give a new type of generalization of an open set in a generalized topological space called -semi-p-open set. We present the definition of this set with its equivalent. We give definitions of -semi-p-interior and -semi-p-closure of a set and discuss their properties. Also the properties of -preinterior and -preclosuer are discussed. In addition, we give a new type of continuous function

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