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Superconductivity of electron-doped chalcohydrides under high pressure
Published 2025-01-01“…Notably, metallic LiSH_{7} and Li_{2}SH_{6} exhibit a layered structure where the covalent bond between sulfur and hydrogen breaks up and the hydrogen atoms are released to recombine into molecules confined into the interlayer. …”
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1202
Artificial intelligence in high-dose-rate brachytherapy treatment planning for cervical cancer: a review
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1203
Engineered crystalline polymers for effective contaminant removal from water
Published 2024-12-01“…Molecular dynamics (MD) and well-tempered metadynamics simulations are utilized to examine ion contaminants’ adsorption process and dynamic behaviors onto alkylureido-ethylimidazoles with well-defined supramolecular structures. Moreover, the atoms-in-molecules (AIM) analysis identified multiple types of atomic interactions between the contaminant molecules and the substrates. …”
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Evaluation of the Effect of Different Universal Adhesives on Remineralized Enamel by Shear Bond Strength and Fe-SEM/EDX Analysis
Published 2025-01-01“…The aim of this study is to evaluate the shear bond strength of different universal adhesives applied to intact, demineralized, and remineralized enamel surfaces with total-etch and self-etch modes and to examine the effect of universal adhesives on the Ca/P mineral atomic and mass ratios of these enamel with FE-SEM/EDX (Field Emission Scanning Electron Microscopy with Energy Dispersive X-Ray Spectroscopy) analysis. …”
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1206
Cost-Effective Drone Survey of Areas with Elevated Background Radiation
Published 2024-12-01Get full text
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1207
The Concept of the Heat Removal System of a High-Flux Research Reactor
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1208
Assessment of the potential and application of Be12O12 nanocage for removal of ciprofloxacin from water employing density functional theory
Published 2025-01-01“…All the complexes show chemisorption with the highest adsorption energies (E ads) of − 39.86 kcal/mol for Com-E followed by Com-A, Com-B, Com-C and Com-D without any structural change. The O and F atoms of ciprofloxacin (CIP) interacts strongly with the Be atoms of the nanocage respectively. …”
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1209
Shock wave dynamics in nanoporous tungsten and molybdenum via molecular dynamics simulations: Insights into thermodynamic and structural evolution
Published 2025-03-01“…Specifically, at up = 1.5 km/s and t = 50 ps, the amorphous conversion percentages of BCC atoms in NP-W/NP-Mo are 49.6%/47.0% (φ = 0.40), 58.5%/52.2% (φ = 0.50), and 68.1%/57.5% (φ = 0.60), respectively. …”
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1210
Component regulation and high-entropy engineering for enhanced antioxidant and high-temperature mechanical properties of protective films
Published 2025-01-01“…To prevent the phase decomposition of AlN within the (NbMoTaWAl)N, theoretical simulations were employed to determine a critical atomic percent of 25.0% Al for maintaining the stability of the high-entropy structure. …”
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1211
High-entropy alloys catalyzing polymeric transformation of water pollutants with remarkably improved electron utilization efficiency
Published 2025-01-01“…Abstract High-entropy alloy nanoparticles (HEA-NPs) exhibit favorable properties in catalytic processes, as their multi-metallic sites ensure both high intrinsic activity and atomic efficiency. However, controlled synthesis of uniform multi-metallic ensembles at the atomic level remains challenging. …”
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1212
Photophysical and Electrochemical Studies of Multinuclear Complexes of Iron(II) with Acetate and Extended Conjugated N-Donor Ligands
Published 2015-01-01“…Variable-temperature magnetic susceptibility data suggested that 1 was made up of 56.8% high-spin (HS) and 43.2% low-spin (LS) Fe(II) atoms at 294 K and has a moderate antiferromagnetic interaction (J = −81.2 cm−1) between the two Fe(II) centres, while 2 was made up of 27.7% HS and 72.3% LS Fe(II) atoms at 300 K. …”
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1213
Origin of the formation of isostructural bcc-Fe+bcc-Cu nanocomposites in Fe–Cu alloy via vacuum co-deposition
Published 2025-01-01“…Analysis of the lattice parameter of the single bcc structure indicates that only a portion of the copper atoms dissolve in the bcc-Fe lattice, while undissolved copper atoms form bcc-Cu inclusions that are coherent with the bcc-Fe lattice. …”
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1214
Mechanical Properties in Nuclear Installation and the Relevant Measurement Methods
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A Turn-On Fluorescent Sensor for Hg2+ Based on Graphene Oxide
Published 2017-01-01“…A graphene oxide- (GO-) boradiazaindacenes (BODIPY) charge-transfer complex (BGO) has been easily synthesized, and the structure of BGO was confirmed by FT-IR and atomic force microscopy (AFM). Moreover, the BGO was found that could be used as a turn-on fluorescent sensor for Hg2+. …”
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Dual-Energy CT for Evaluation of Intra- and Extracapsular Silicone Implant Rupture
Published 2016-01-01“…Dual-energy CT allows determination of density and atomic number of tissue and can provide material composition information. …”
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1219
Sn(SO4)2·2H2O from synchrotron powder data
Published 2024-12-01“…Hydrogen bonds of moderate strength between the water molecules and sulfate O atoms hold the layers together.…”
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1220
Inhibitory Effect of Curcumin-Cu(II) and Curcumin-Zn(II) Complexes on Amyloid-Beta Peptide Fibrillation
Published 2014-01-01“…FTIR spectroscopy and atomic force microscopy (AFM) observations demonstrate that the complexes can inhibit the transition from less structured oligomers to β-sheet rich protofibrils which act as seeding factors for further fibrillization. …”
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