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Toplam kayıt 10, listelenen: 1-10
Adsorption of Eriochrome Black T on the chitin surface: Experimental study, DFT calculations and molecular dynamics simulation
(Elsevier, 2021)
In this study, chitinwith highmolecularweightwas extracted fromshrimp shells and characterized by XRD, FTIR,
and SEM. The solid was investigated in Eriochrome black T dye (EB) adsorption in aqueous solution. Experimental
results ...
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 ...
Evidence of the relationship between attention deficit/ hyperactivity disorder (ADHD) and emotional abuse in a sample of preschool children
(Taylor & Francis Group, LLC, 2022)
This study has aimed to evaluate the relationship between preschool
attention deficit/hyperactivity disorder (ADHD) and emotional
abuse. Fifty-six children with ADHD aged 5 and 6 years
and their mothers, and sixty-five ...
Fluorinated carbon and boron nitride fullerenes for drug Delivery: Computational study of structure and adsorption
(Elsevier, 1 May 2022)
We applied a genetic algorithm combined with the B3LYP/6-311G** approach to determine the structures
of low-energy isomers of partially fluorinated fullerenes, the number of which is combinatorically huge.
We found that ...
Spin–Orbit and Zeeman Effects on the Electronic Properties of Single Quantum Rings: Applied Magnetic Field and Topological Defects
(2023)
Within the framework of effective mass theory, we investigate the effects of spin–orbit
interaction (SOI) and Zeeman splitting on the electronic properties of an electron confined in GaAs
single quantum rings. Energies ...
Simultaneous effects of anisotropy and internuclear distance on the D+ 2 complex-related self-polarization in quantum dots
(2023)
In this study, we investigate the simultaneous effects of anisotropy and internuclear distance on the selfpolarization
of the D+2 complex in quantum dots for different confinement sizes. Numerical calculations were
carried ...
The impact of the laser field on the electronic properties of a hydrogen molecular ion in a Gaussian quantum dot
(2023)
In this study, the influence of a circularly polarized non-resonant high-frequency laser field radiation on the
electronic structure of a hydrogen molecular ion formed by two fixed hydrogen-like donor atoms bound to ...
Hydrogen molecular ion-related nonlinear optical rectification in quantum dots
(2023)
The influence of the internuclear distance and quantum dot size on the nonlinear optical rectification of a hydrogen
molecular ion D+
2 confined in a two-dimensional quantum dot was calculated. In the framework of the ...
Diamagnetic susceptibility of an artificial hydrogen molecule ion DD2 + confined to quantum dots: effects of anisotropy
(2023)
We present the numerical results obtained by the twodimensional
diagonalisation method concerning the
anisotropy and internuclear distance dependence of the
electronic structure, total energy and diamagnetic
susceptibility ...
Metal cations toxicity: An inorganic interpretation
(Published by Elsevier B.V., 2023-01)
Chemical hardness is one of the useful parameters giving information about the toxic nature of the structures. In
the present work, absolute chemical hardness imparted to the science by Pearson, the hydration enthalpies, ...