Journal of Physical & Theoretical Chemistry
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ارسال های اخیر
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Organic Light Emitting Diode Displays: Enabling the Next Generation of Electronics
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2022-06-01)The current standards of display technologies, such as liquid crystal display (LCD), light emitting diode (LED) and plasma, are limited by their physical and aesthetic properties. Organic light emitting diode (OLED) displays ...
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Analytical assessment of steel cord drawing lubricant with and without triple mixed-additive addition
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2022-03-01)The lubrication is one of the most significant operations in the process of steel cord drawing which affects the final product quality. In this study, the effect of utilizing triple mixed additive (pH stabilizer, antifoam, ...
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Effects of Laser Process Parameters on Geometrical Characteristics of Aluminized Inconel738 superalloy by laser cladding
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2021-11-01)ABSTRACT: Inconel 738 superalloy was aluminized using laser cladding technique. The objective of the recent research was to investigate the effect of main process parameters of laser cladding of Al on a gas turbin blade; ...
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A Study of Highly-Efficient Quantum Dot based Solar Cells
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2021-02-01)Quantum dots are tiny particles of semi-conductors that are easy and cheap to produce and can be used in solar cells to conduct the electrons [1]. The development of this technology has shown much promise not only at ...
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Organic Light Emitting Diodes: Innovative Lighting and Display Solution
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2022-02-01)OLEDs (Organic Light Emitting Diodes) are a breakthrough innovation in lighting and display technology for a wide array of reasons. OLEDs can be implemented in various applications from home lighting, to TV screens or GPSs. ...
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Ultrasonic Assisted Removal of Methyl Paraben on Ultrasonically Synthesized Zn(OH)2-NPs-AC: Experimental Design Methodology
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2021-03-01)Zn(OH)2 nanoparticles (Zn(OH)2-NPs) were sonochemically synthesized. Very low amount of Zn(OH)2-NPs was loaded on activated carbon with weight ratio of 1:10 followed by the characterization using FT-IR, XRD and SEM. Zn(OH)2 ...
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Application of Monte Carlo Method and a novel modelling-optimization approach on QSAR Study of Etoposide drugs
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2021-11-01)Monte Carlo and Multiple Linear Regression (MLR) and Imperialist Competitive Algorithm (ICA) were used to select the most appropriate descriptors. Examining the quality of the model by comparing the mean squared error (MSE) ...
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Design and Evaluation Sensor Starch-capped ZnSNPs Synthesis for Determination trace Tartrazine Color in Real Samples with Kinetic Spectrophotometric Method
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2022-02-01)Tartrazine is a synthetic organic food dye that can be found in common food products such as bakery products, dairy products, candies, and beverages. That the must be controlled in food produced, and content of the TZ ...
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Computational Study of Drug Pimagedine on Carbon Nanotubes (8,0) by DFT Method
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2022-02-01)In this research the role of carbon nanotubes as carrier of pimagedine drug have been investigated. These drugs have been used in cure of diabetes. For this purpose nanotubes (8, 0) with different length have been used. ...
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Adsorption of Cd2+ ions onto magnetic Bentonite/Fe3O4 nanoparticles loaded on Alginate beads in simulated wastewater to protect the environment
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2021-03-01)Nowadays, heavy metal pollutants are among the challenges facing humans and the environment. Bentonite/Fe3O4 nanoparticles and sodium alginate have high efficiency for adsorption of heavy metal ions. For the purpose, four ...
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The Effect of Different Auxiliary Collector in Flotation of Phosphate Ore
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2021-11-01)Flotation is a main technique for extraction of elements from ores with suitable grades, which is based on separating valuable particles from unwanted particles. Apatite with the formula of P2O5 can be extracted by flotation ...
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Adsorption of Benzyl Paraben Dye from Aqueous Solutions Using synthesized Mn-doped PbS (PbS:Mn) nanoparticles
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2021-11-01)Precipitation method was applied to synthesize pure and PbS (1−x) Mn (x = 0%, 5%, 10% and 15%) nanoparticles. There have been reports on the usefulness of Mn-doped PbS (PbS:Mn) nanoparticles in removal Benzyl Paraben (BP) ...
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The interaction of 5-Flucytosine drug with pristine and (n=1,2,3)H+ ions functionalized B12N12 nanocage: A DFT, TD-DFT, NLO and AIM study
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2021-11-01)The aims this work to investigate the effects of (n=1, 2, 3) H+ ions functionalizing on the surface of B12N12 nanocage to detect and adsorb 5-Flucytosine (5-FC) drug using density functional theory at the WB97XD/6-31G(d, ...
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QSPR Models to Predict Thermodynamic Properties of Alkenes Using Genetic Algorithm and Backward- Multiple Linear Regressions Methods
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2021-11-01)Quantitative structure–property relationship (QSPR) models establish relationships between different types of structural information to their properties. In the present study the relationship between the molecular descriptors ...
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Synthesis of PbS Functionalized with gelatin as a Fluorescence-Enhanced Sensor for determination of Phenylpropanolamine (PPA) drug in blood and urine samples
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2021-11-01)Sensor synthesis synthesized PbS functionalized with gelatin quantum dots have been considered as novel drugs sensors due to their ultrafine size, photo-stability and excellent fluorescent properties. In this study, a ...
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The Effect of Different Auxiliary Collector in Flotation of Phosphate Ore
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2021-05-01)Flotation is the main technique for extraction of elements from ores with suitable grades. Apatite with the formula of P2O5 can be extracted by flotation method. Fatty acids are the traditional collectors for apatite ...
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Adsorption of Benzyl Paraben Dye from Aqueous Solutions Using synthesized Mn-doped PbS (PbS:Mn) nanoparticles
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2021-05-01)Precipitation method was applied to synthesize pure and PbS (1−x) Mn (x = 0%, 5%, 10% and 15%) nanoparticles. There have been reports on the usefulness of Mn-doped PbS (PbS:Mn) nanoparticles in removal Benzyl Paraben (BP) ...
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The interaction of 5-Flucytosine drug with pristine and (n=1, 2, 3) H+ ions functionalized B12N12 nanocage: A DFT, TD-DFT, NLO and AIM study
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2021-05-01)The aims this work to investigate the effects of (n=1, 2, 3) H+ ions functionalizing on the surface of B12N12 nanocage to detect and adsorb 5-Flucytosine (5-FC) drug using density functional theory at the WB97XD/6-31G(d, ...
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Removal Phenol from Aqueous Solutions Using Environmental friendly and Effective Adsorbent onto Mn–Fe2O4–NPs–AC
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2021-05-01)The applicability of Mn–Fe2O4–NPs–AC for removing Phenol from aqueous solutions has been reported. This novel material was characterized by different techniques such as FT-IR, XRD and SEM. The influence of nanoparticle ...
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Synthesis of PbS Functionalized With Gelatin as a Fluorescence-Enhanced Sensor for Determination of Phenylpropanolamine (PPA) Drug in Blood and Urine Samples
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2021-05-01)Synthesized PbS sensor functionalized with gelatin quantum dots glotaraldehyde has been recognized as a unique medicament sensor thanks to its ultra-fine size, photo-stability, and distinguished fluorescent properties. The ...
