Functional Connectivity Analysis under Vigilance Decrement and Enhanced Mental States حسب Hassanin, Omnia

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Geometrically nonlinear vibration analysis of eccentrically stiffened porous functionally graded annular spherical shell segments حسب Seyed Sajad Mirjavadi (20278071)

"…Porous FG material contains distributed even and un-even porosities and is modeled based on refined power–law function. The governing equations of stiffened porous annular spherical shell segments have been derived according to thin shell theory with the geometrical nonlinear in von Karman–Donnell sense and the smeared stiffeners method. …"

Effect of chemical modification on electronic transport properties of carbyne حسب G. R. Berdiyorov (4435975)

"…<p>Using density functional theory in combination with the Green’s functional formalism, we study the effect of surface functionalization on the electronic transport properties of 1D carbon allotrope—carbyne. …"

Charge carrier mobility in hybrid halide perovskites حسب Carlo Motta (2884388)

"…<p dir="ltr">The charge transport properties of hybrid halide perovskites are investigated with a combination of density functional theory including van der Waals interaction and the Boltzmann theory for diffusive transport in the relaxation time approximation. …"

Optical properties of functionalized Ti₃C₂T₂ (T = F, O, OH) MXene: First-principles calculations حسب G. R. Berdiyorov (4435975)

"…<p dir="ltr">Role of surface termination on the dielectric and optical properties of Ti3C2T2 (T = F, O, OH) MXene is studied using first-principles density functional theory. The results show that the surface functionalization has a significant impact on the optical properties of the MXene. …"

Skopos in Advertising Translation into Arabic حسب Haddad, Khalil

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EEG-Based Semantic Vigilance Level Classification Using Directed Connectivity Patterns and Graph Theory Analysis حسب Yahya, Fares

"…The overall results indicate that the proposed methods of directed connectivity patterns and GTA provide a complementary aspect of functional connectivity. Our study suggests directed functional connectivity with GTA as informative features and highlight Support Vector Machine as the suitable classifier for classifying semantic vigilance levels.…"
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Highly selective adsorption of gases on functionalized spin-polarized dichalcogenide alloy حسب Ahmad I. Ayesh (10188469)

"…The gas adsorption length (d) and energy (E_ad), the density of states (DOS) in addition to the projected density of states (PDOS), and charge exchange among gas and structure (ΔQ) were evaluated upon gas adsorption on undoped and Co doped MoSeS structure by means of first principles computation associated with density functional theory (DFT). The outcomes demonstrate that Co doping of MoSeS monolayer introduces significant modification in the energy gap such that it is transformed from a typical semiconductor into a low energy gap semiconductor. …"

Conceptual modeling of a reactor bed of a nickel-copper bi-metallic catalyst for dry reforming of methane حسب Murtaza A. Khan (17337829)

"…A unique approach utilizing carbon formation rates obtained from Density-Function-Theory (DFT) results is presented to scale monometallic Ni catalyst kinetics. …"

Adsorbed Water Promotes Chemically Active Environments on the Surface of Sodium Chloride حسب Xiangrui Kong (1714498)

"…The chlorine species detected originates from Cl– expelled from the NaCl crystal structure, as determined by atomistic density functional theory calculations. Molecular dynamics simulations highlight the chemically active NaCl surface environment, driven by a strong interfacial electric field and the presence of sub-monolayer water coverage. …"

CO, CO2, and SO2 detection based on functionalized graphene nanoribbons: First principles study حسب Ehab, Salih

"…In this study, density functional theory (DFT) has been used to build armchair graphene nanoribbon (AGNR) gas sensor and study its capacity to detect carbon monoxide (CO), carbon dioxide (CO2), and sulfur dioxide (SO2) gases. …"
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Solvent Influence on Absorption Spectra and Tautomeric Equilibria of Symmetric Azomethine‐Functionalized Derivatives: Structural Elucidation and Computational Studies حسب Kifah S. M. Salih (7854269)

"…The basis of the electronic absorptions was pursued through Time-Dependent Density-Functional Theory (TD-DFT). Analysis of the structural surfaces was inspected and the molecular electrostatic potential (MEP) demonstrated that the three functionalized compounds were relatively analogous in the electronic distributions. …"

On the molecular properties of graphene-pyrazines conjugated Ru and Fe complexes: Computational insights حسب Abdulilah Dawoud, Bani-Yaseen

"…The computational study was conducted using the density functional theory (DFT) approach with an implicit solvation model (IEFPCM). …"
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Energy Conservation-based Thresholding for Effective Wavelet Denoising of Partial Discharge Signals حسب Hussein, Ramy

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CO, CO₂, and SO₂ detection based on functionalized graphene nanoribbons: First principles study حسب Ehab Salih (17075206)

"…<p dir="ltr">In this study, density functional theory (DFT) has been used to build armchair graphene nanoribbon (AGNR) gas sensor and study its capacity to detect carbon monoxide (CO), carbon dioxide (CO₂), and sulfur dioxide (SO₂) gases. …"

Stress Management Using Physiological Signals and Audio Stimulation حسب Katmah, Rateb Majd

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ResQNets: a residual approach for mitigating barren plateaus in quantum neural networks حسب Muhammad Kashif (3923483)

Theoretical insight into effect of cation–anion pairs on CO₂ reduction on bismuth electrocatalysts حسب Sun Hee Yoon (7179263)

"…<p dir="ltr">This study presents theoretical insight into the mechanism of the CO₂ reduction reaction (CO₂RR) to formic acid (HCOOH) on Bi (0 1 2) surfaces in the presence of alkali metal cations (M⁺: Cs⁺, K⁺, and Li⁺) and/or halide anions (X⁻: Cl⁻, Br⁻, and I⁻) using density functional theory (DFT). The adsorption energy (Eads) and work function (Wf) of the anions increases with decreasing anion size (i.e., Cl⁻ > Br⁻ > I⁻). …"

On the molecular properties of graphene-pyrazines conjugated Ru and Fe complexes: Computational insights حسب Abdulilah Dawoud Bani-Yaseen (14152812)

"…The computational study was conducted using the density functional theory (DFT) approach with an implicit solvation model (IEFPCM). …"

A Strategic Perspective to Leadership Implications by Process Paradigm: An Empirical Study حسب Parameswaran, Hima

"…However, it also enlightens that the selected companies should restructure the traditional HRM function into strategic, operational, and functional levels. …"
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