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Carbon-carbon triple bond cleavage and reconstitution to achieve aryl amidation using nitrous acid esters
Published 2025-01-01“…Nitrous acid ester serves as both a radical source and a hydrogen atom transfer (HAT) reagent to functionalize and utilize the two carbon atoms of the C–C triple bond. …”
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582
Atomistic modeling of different loading paths in single crystal copper and aluminum
Published 2016-10-01“…Utilizing molecular dynamics (MD) integration model we have investigated some of the relevant physical processes caused by different loading paths at the atomic level in Cu and Al monocrystal specimen. Interactions among the atoms in the bulk are modeled with the standard realistic Embedded Atom Method (EAM) potentials. …”
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583
Uncertainty Analysis of the Potential Hazard of MCCI during Severe Accidents for the CANDU6 Plant
Published 2015-01-01Get full text
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585
Mechanistic insights and atmospheric implications of the degradation reaction of 3-methoxy-1-propanol by reaction with hydroxyl radicals and identification of the end products in t...
Published 2025-01-01“…The primary attack by hydroxyl radicals occurs at the hydrogen atom bonded to carbon atoms adjacent to the oxygen atom in the ether group, leading to the formation of alkyl radicals. …”
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586
Access and sustainment of ELMy H-mode operation for ITER pre-fusion power operation plasmas using JINTRAC
Published 2025-01-01Get full text
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587
Herz-Type Hardy Spaces Associated with Operators
Published 2018-01-01“…Then, similar to the atomic and molecular decompositions of classical Herz-type Hardy spaces and the Hardy space associated with operators, we prove the atomic and molecular decompositions of the Herz-type Hardy spaces associated with operator L. …”
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588
Topological Indices of the Pent-Heptagonal Nanosheets VC5C7 and HC5C7
Published 2019-01-01“…In this paper, we computed the topological indices of pent-heptagonal nanosheet. Formulas for atom-bond connectivity index, fourth atom-bond connectivity index, Randić connectivity index, sum-connectivity index, first Zagreb index, second Zagreb index, augmented Zagreb index, modified Zagreb index, hyper Zagreb index, geometric-arithmetic index, fifth geometric-arithmetic index, Sanskruti index, forgotten index, and harmonic index of pent-heptagonal nanosheet have been derived.…”
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589
Origin of Non-Gaussian Velocity Distribution Found in Freestanding Graphene Membranes
Published 2019-01-01“…From these results, a physical mechanism is provided for the non-Gaussian velocity distribution in terms of carbon atom arrangement in freestanding graphene. Moreover, a new theoretical foundation is proposed for future studies of the anomalous dynamics of carbon atoms in graphene membranes.…”
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Preparation and Spectral Properties of Mixed-Ligand Complexes of VO(IV), Ni(II), Zn(II), Pd(II), Cd(II) and Pb(II) with Dimethylglyoxime and N-acetylglycine
Published 2010-01-01“…The IR and (1H, 13C) NMR spectra which have indicate that the dimethylglyoxime was coordinated with the metal ions through the N and O atoms of the oxime group and N-acetylglycine was coordinated with metal ions through the N atom and terminal carboxyl oxygen atom.…”
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594
Second Suburethral Sling Implantation for the Recurrent Urinary Incontinence after Radical Prostatectomy when First Sling Surgery was Non-Effective: Case Report
Published 2023-11-01“…After further examinations in 2023-03-25, an adjustable ATOMS system suburethral male sling implantation was performed and it was effective. 2023-05-03 ATOMS system was adjusted and after this there was no urinary incontinence. …”
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595
The effects of disordered edge and vanishing friction in microscale structural superlubric graphite contact
Published 2024-12-01“…However, its nature remains mysterious due to the lack of direct characterizations on atomic scale. Here, for microscale graphite mesa, we unambiguously reveal the atomic structure and chemical composition of the disordered edge. …”
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596
Core-shell or Janus-like Fe0.5Ni0.5 nanostructures: A theoretical and experimental study
Published 2025-01-01“…Molecular dynamics simulations were carried out in order to know the most stable arrangement of Fe and Ni atoms. The simulations considered nanostructures with three different sizes (6231, 10,000, and 21,366 atoms), and the configurations were forced to have Fe/Ni ratios approximately equal to one. …”
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597
Improved prediction model for ceiling maximum smoke temperature in the uphill tunnel fires using water spray system
Published 2025-02-01“…The flow rate is more important than the atomization angle in controlling smoke temperature. …”
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598
Understanding noble gas incorporation in mantle minerals: an atomistic study
Published 2024-06-01“…Incorporation energies, as well as atomic distances suggest that the incorporation mainly depend on the size mismatch between host and guest atoms. …”
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599
Mathematical model for droplet size prediction of gas-water nozzle based on orthogonal experiment
Published 2025-01-01“…In order to understand the influence of process parameters and structural parameters of internal mixing gas-water nozzle on atomization characteristics, based on a self-designed experimental platform for atomization characteristics, the influence of air supply pressure, water supply pressure, gas-water convergence angle, mixing chamber length and outlet size on atomization characteristics was quantitatively analyzed by orthogonal experiment method, and then a prediction model of nozzle droplet Sauter mean diameter (SMD) was established by using multivariate nonlinear regression method. …”
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600
Analyses of Ferrous and Ferric State in DynabiTab Using Mössbauer Spectroscopy
Published 2017-01-01Get full text
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