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621
Experimental and computational approach on the corrosion inhibition properties of two newly pyrazole derivatives on carbon steel in acid medium
Published 2025-01-01Subjects: Get full text
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622
A second-order resolvent formulation for the analysis of turbulent flow structures
Published 2023-09-01Subjects: Get full text
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623
Engagement factors affect academic success through study approaches among physical education and sport university students: a mediation analysis
Published 2025-02-01Subjects: Get full text
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624
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625
Innovative design and experimental verification of cam shedding for high-speed looms
Published 2025-01-01Subjects: Get full text
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626
Education, Quality and the Digital Transformation
Published 2020-05-01Subjects: “…crossdisciplinary fundamental theoretical core…”
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627
Grading evaluation methods for lacustrine shale oil resources developed by in-situ heating conversion technology
Published 2025-01-01Subjects: Get full text
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628
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629
Theoretical Calculations and Molecular Docking Analysis of 4-(2-(4-Bromophenyl)Hydrazineylidene)-3,5-Diphenyl-4H-Pyrazole Molecule
Published 2024-12-01“…The MP2 method was optimized for these theoretical calculations using DGDZVP and 6-311G(d,p) basis sets. …”
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630
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631
Based on theoretical design simultaneous analysis of multiple neonicotinoid pesticides in beeswax by deep eutectic solvents extraction combined with UHPLC-MS/MS
Published 2025-01-01“…In this work, we determined Proline and Oxalic acid as a suitable deep eutectic solvent (DES) to extract neonicotinoids from beeswax through theoretical design and verification tests. Systematic molecular dynamics simulations confirmed that hydrogen bonding and van der Waals forces facilitate the migration of neonicotinoid pesticides from beeswax into the DES. …”
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632
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634
Theoretical Insight into the Spectral Characteristics of Fe(II)-Based Complexes for Dye-Sensitized Solar Cells—Part I: Polypyridyl Ancillary Ligands
Published 2011-01-01“…We report herein a theoretical investigation on a series of polypyridyl Fe(II)-based complexes of FeL2(SCN)2, [FeL3]2+, [FeL′(SCN)3]-, [FeL′2]2+, and FeL′′(SCN)2 (L = 2,2′-bipyridyl-4,4′-dicarboxylic acid, L′ = 2,2′,2″-terpyridyl-4,4′,4″-tricarboxylic acid, L″ = 4,4‴-dimethyl-2,2′ : 6′,2″ :6″,2‴-quaterpyridyl-4′,4″-biscarboxylic acid) by density functional theory (DFT) and time-dependent DFT (TD-DFT). …”
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635
A game-theoretic approach for analyzing the effects of revenue sharing contracts and consumer surplus on supply chain sustainability under government interventions
Published 2024-09-01“…Notably, this study, for the first time, integrates all three dimensions of sustainability—social, economic, and environmental—within a game-theoretic framework that includes government intervention and a revenue-sharing agreement between the retailer and the manufacturer.Findings: The modeling results demonstrated that incorporating consumer surplus enhances the profitability of both the government and the manufacturer. …”
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636
Sulfasalazine as a Corrosion Inhibitor on Carbon Steel Metal Surfaces in Acidic Media Using the Hydrogen Evolution Method: Experimental and Theoretical Studies
Published 2025-01-01“…The correlation between the theoretical and experimental results is discussed. The theoretical and experimental studies showed that SSZ is a good inhibitor as the maximum anti-corrosion activity was achieved at the highest concentration of the SSZ (1 × 10−3 M), and the lowest temperature used in the experiment.…”
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637
A theoretical prediction for generating isolated attosecond pulse in water window utilizing instantaneous frequency change of two-color driving laser pulse
Published 2025-02-01“…Abstract This work reports on the theoretical generation of isolated soft-X ray 106 attosecond pulse within the water window spectral region, through interacting a chirped two-color femtosecond laser pulse with a hydrogen atom. …”
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638
Recognizing and addressing burnout among healthcare workers in rural Nepal: a proof-of-concept study using Kern’s six-step theoretical framework
Published 2025-01-01“…Competency-focused interventions that are developed using theoretical frameworks can address this gap. Methods We used Kern’s framework of curriculum development to create, refine, and assess a theory-driven intervention tailored to the needs and constraints of rural healthcare workers in Nepal. …”
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