Browsing Matematik ve Fen Bilimleri Eğitimi Bölümü Makale Koleksiyonu by Issue Date
Now showing items 41-60 of 102
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Photoionization cross section of a D+ 2 complex in quantum dots: the role of donor atoms configuration
(2022)This study reports a theoretical investigation on the electronic spectrum and the photoionization cross section of a singly ionized double donor complex D+ 2 confined in a two-dimensional quantum dot with Gaussian ... -
Influence of external fields on the exciton binding energy and interband absorption in a double inverse parabolic quantum well
(2022)Ground-state binding energy and optical absorption coefficient of exciton in a symmetric double inverse parabolic quantum well system in the presence of external electric and magnetic fields are investigated theoretically. ... -
Energy spectrum and interlevel transitions within the conduction band of a D+ 2 complex confined in a spherical quantum dot
(2022)In this work, we have performed a theoretically study on the energy spectrum, binding energy and interlevel transitions within the conduction band of a D+ 2 complex confined in a spherical quantum dot with finite ... -
Electronic and optical properties of a D+ 2 complex in two-dimensional quantum dots with Gaussian confinement potential
(2022)Using the two-dimensional diagonalization method and the effective mass approximation, the electronic structure and intersubband optical absorption of the singly ionized double donor complex confined in a Gaussian quantum ... -
Insight of development of two cured epoxy polymer composite coatings as highly protective efficiency for carbon steel in sodium chloride solution: DFT, RDF, FFV and MD approaches
(Elsevier, 2022)Cured epoxy polymers namely 3.30-(phenylazanediyl) bis(1-((6-aminohexyl)amino)propan-2-ol) (EP/ AlA) and 3.30-(phenylazanediyl) bis(1-((4-(4-aminobenzyl)phenyl)amino)propan-2-ol) (EP/ArA) were used as potential protection ... -
Corrosion inhibition of steel using different families of organic compounds: Past and present progress
(2022)Application of organic compounds as corrosion inhibitors, particularly heterocyclic compounds, is one of the most economical and effective corrosion mitigation methods of steel alloys. These compounds become effective ... -
Strychnos alkaloids: total synthesis, characterization, DFT investigations, and molecular docking with AChE, BuChE, and HSA
(Elsevier, 2022)An efficient five steps, the protection-deprotection synthetic a novel synthetic routes to( ) noruleine ( )-uleine, are reported starting from tetrahydrocarbazole fused monoalkyl nitrile at C-2 position that is prepared ... -
Synthesis, characterization, biological and DFT studies of chargetransfer complexes of antihyperlipidemic drug atorvastatin calcium with Iodine, Chloranil, and DDQ
(Elsevier, 2022)Extremely coloured charge-transfer complexes (CTCs) of antihyperlipidemic drug, atorvastatin calcium (ATC) acting as n-electron donor with the electron acceptors, namely, iodine as r-acceptor, 2,3,4,6-tetra chloro-1,4- ... -
DFT computational study of trihalogenated aniline derivative’s adsorption onto graphene/fullerene/fullerene-like nanocages, X12Y12 (X = Al, B, and Y = N, P)
(Elsevier, 2022)Adsorption of 2,4,6-tribromoaniline (BA), 2,4,6-trifluoroaniline (FA) and 2,4,6-trichloroaniline (CA) onto the surface of coronene/fullerene/fullerene-like nanocages was investigated by theoretical calculations. Due to ... -
Novel Ag(I)-NHC complex: synthesis, in vitro cytotoxic activity, molecular docking, and quantum chemical studies
(2022)The importance of organometallic complexes in cancer biology has attracted attention in recent years. In this paper, we look for the in vitro cytotoxic capability of novel benzimidazole-based N-heterocyclic carbene ... -
Antimicrobial, anti-biofilm and cytotoxic properties of methallyl functionalized benzimidazolium-derived Ag(I)-Nheterocyclic carbene complexes
(2022)Purpose: To investigate the antimicrobial, antibiofilm, and cytotoxicity properties of methallyl substituted benzimidazolium-based, silver-bound N-heterocyclic carbene (Ag(I)-NHC) complexes, with respect to their potential ... -
ALLYL FUNCTIONALIZED BENZIMIDAZOLIUM-DERIVED AG(I)-N-HETEROCYCLIC CARBENE COMPLEXES: ANTI-BIOFILM AND ANTIMICROBIAL PROPERTIES
(2022)Microorganisms in the biofilm structure cause severe health problems and economic losses. Therefore, it is very important to design and screen anti-biofilm molecules that can solve the related problems. This paper is aimed ... -
A benzimidazolium salt as effective corrosion inhibitor against the corrosion of mild steel in acidic medium: experimental and theoretical studies
(2022)A new benzimidazolium salt (1-Allyl-3-(2,3,5,6-tetramethylbenzyl)- 5,6-dimethylbenzimidazoliumchloride) is characterized by using 1H NMR and 13C(1H) NMR spectroscopies. The corrosion inhibition performance of benzimidazolium ... -
Investigation of linear and nonlinear optical absorption coefficients and refractive index changes of a zigzag quantum well with structure parameters and applied external fields
(Elsevier, 2022)In this study, we have investigated some linear and nonlinear optical properties of GaAs/GaAlAs zigzag quantum well structures under different electric and magnetic field intensities. We also examined the effect of adjustable ... -
The nonlinear optical properties of GaAs/GaAlAs triple quantum well: Role of the electromagnetic fields and structural parameters
(ELSEVIER, 2022)Being relevant to the field of device applications, multiple semiconductor quantum wells are systems that exhibit remarkable optical and electronic properties. These can be properly tuned by suitably modifying the composition, ... -
Effects of hydrostatic pressure and temperature on the nonlinear optical properties of GaAs/ GaAlAs zigzag quantum well
(TAYLOR & FRANCIS LTD, 2022)We have examined theoretically how the temperature and the hydrostatic pressure affect the total optical absorption coefficients, the total refractive index changes, and the second harmonic generation coefficients for ... -
Cyanomethylation of 2,3,4,9-tetrahydro-1H-carbazol-1-one based on using two different reagents: Antioxidant activity and DFT studies
(Elsevier, 2022)C-2 and C-6 monoalkyl nitrile substituted reactant (1) , which constitute the tricyclic framework of car- bazole derivatives along with the substructure of the Strychnos alkaloids family, have been synthesized by using ... -
Synthesis of thiophene derivatives: Substituent effect, antioxidant activity, cyclic voltammetry, molecular docking, DFT, and TD-DFT calculations
(Elsevier, 2022)The efficient pathway 6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate derivatives have been synthesized. Due to the promising biochemical reactivity, the bioactive agent synthesis in the frame of the thiophene ... -
Experimental and DFT Modeling Studies for the Adsorptive Removal of Reactive Dyes from Wastewater
(CRC Press Taylor Francis, 2022)The current research demonstrates the adsorptive removal of RY-18, RR-2, RB-13, and RB-171 dyes from wastewater samples using p-diethylaminomethylcalix[4]arene silica appended (DSA) resin. The DSA resin shows high ... -
Synthesis of thiophene derivatives: Substituent effect, antioxidant activity, cyclic voltammetry, molecular docking, DFT, and TD-DFT calculations
(Elsevier, 2022)The efficient pathway 6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate derivatives have been synthesized. Due to the promising biochemical reactivity, the bioactive agent synthesis in the frame of the thiophene ...