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1341
Prediction of a New Phase of CuxS near Stoichiometric Composition
Published 2015-01-01“…Its instability of phases is due to favorable formation of Cu vacancies and the mobility of Cu atoms within the crystal. Understanding its phase structures is of crucial important for its application as solar absorber material. …”
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1342
Studies on HS Adsorption and Carbon Deposition over Mo-Ni/AlO Catalysts
Published 2000-07-01“…A series of Ni/Al 2 O 3 catalysts modified by Mo was prepared to enable the effect of molybdenum content on H 2 S adsorption and the catalytic properties of the solids to be studied. The atomic Mo/Ni ratio in such catalysts varied in the range 0.01–1.00 while the Ni content was maintained constant at 3.3%. …”
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1343
Synthesis and crystal structure of 2,2,2-trichloroethyl N-{4-[6-(1-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]benzyl}carbamate
Published 2025-02-01“…The carbamate moieties form intermolecular hydrogen bonds, stacking the tetrazine molecules above each other, while lateral hydrogen bonds are formed between a tetrazine N atom and a hydroxyl group, the latter interaction being a scarcely explored structural feature of 1,2,4,5-tetrazines.…”
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1344
Applications of Au<sub>25</sub> Nanoclusters in Photon-Based Cancer Therapies
Published 2024-12-01“…Atomically precise gold nanoclusters (AuNCs) exhibit unique physical and optical properties, making them highly promising for targeted cancer therapy. …”
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1345
STRUCTURING OF EDUCATIONAL MATERIAL IN PHYSICS AT THE TECHNICAL UNIVERSITY
Published 2015-06-01“…In this paper, we propose a new method of structuring the teaching material in physics, while maintaining the traditional sequence of thematic modules: mechanical; thermodynamics and molecular physics (including elements of statistical physics); electricity and magnetism; waves, optics; quantum physics (including physics of the atom and elements of solid state physics); nuclear physics; physical picture of the world. …”
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1346
Adsorption of Trinitrotoluene on a MgO(001) Surface Including Surface Relaxation Effects
Published 2013-01-01“…In the first surface representation, there were two fixed layers of atoms and in the second the surface had three layers, with the uppermost fully relaxed in geometry optimizations. …”
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1347
Synthesis and crystal structure of [Sr(urea)(NO3)2]n
Published 2025-02-01“…The SrII cation adopts a distorted decahedral geometry coordinated by ten oxygen atoms, with Sr—O bond lengths ranging from 2.573 (3) to 2.847 (5) Å. …”
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1348
Ultrasonic-assisted liquid phase exfoliation for high-yield monolayer graphene with enhanced crystallinity
Published 2025-01-01“…Through a comprehensive series of characterizations involving atomic force microscopy, scanning electron microscopy, Raman spectroscopy, X-ray diffraction, and X-ray photoelectron spectroscopy, the resulting graphene nanosheets demonstrate superior crystallinity compared to those obtained via the conventional method. …”
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1349
Tracking anharmonic oscillations in the structure of β-1,3-diacetylpyrene
Published 2025-01-01“…Experimental data of sufficient quality combined with Hirshfeld atom refinement of the crystal structures enabled a quantitative analysis of elusive anharmonic effects within the Gram–Charlier formalism. …”
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1350
Anisotropic Elasticity, Spin–Orbit Coupling, and Topological Properties of ZrTe<sub>2</sub> and NiTe<sub>2</sub>: A Comparative Study for Spintronic and Nanoscale Applications
Published 2025-01-01“…The present work investigates the interfacial and atomic layer-dependent mechanical properties, SOC-entailing phonon band structure, and comprehensive electron-topological–elastic integration of ZrTe<sub>2</sub> and NiTe<sub>2</sub>. …”
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1351
Mechanical and Structural Properties of Fluorine-Ion-Implanted Boron Suboxide
Published 2012-01-01“…Results on a systematic study on the effects of ion implantation on the near-surface mechanical and structural properties of boron suboxide (B6O) prepared by uniaxial hot pressing are reviewed. 150 keV fluorine ions at fluences of up to 5.0×1016 ions/cm2 were implanted into the ultrahard ceramic material at room temperature and characterized using Raman spectroscopy, atomic force microscopy, and scanning electron microscopy with energy-dispersive X-ray spectroscopy. …”
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1352
Influence of Magnetic Fields on Precipitating Solar Wind Hydrogen at Mars
Published 2022-06-01“…Abstract Solar wind protons can interact directly with the hydrogen corona of Mars through charge exchange, resulting in energetic neutral atoms (ENAs) able to penetrate deep into the upper atmosphere of Mars. …”
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1353
Deeper Insights into Conformational Analysis of cis-Butene and 1-Alkenes as Monomers and Dimers: QTAIM, NCI, and DFT Approach
Published 2019-01-01“…In monomers of 1-alkenes, the most stable conformer has bent-inward geometry which favors the π bond interaction with methyl/methylene hydrogen/carbon atoms. Conversely, each alkene’s molecule in the corresponding most stable alkene’s dimer has a straight, zig-zag geometry. …”
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1354
Non-Archimedean Green’s functions and Zariski decompositions
Published 2024-06-01“…Second, we produce an example of a function whose Monge–Ampère measure is a finite atomic measure supported in a dual complex, but which is not invariant under the retraction associated to any snc model. …”
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1355
A Novel Modulation Classification Approach Using Gabor Filter Network
Published 2014-01-01“…The Gabor filter network uses the network structure of two layers; the first layer which is input layer constitutes the adaptive feature extraction part and the second layer constitutes the signal classification part. The Gabor atom parameters are tuned using Delta rule and updating of weights of Gabor filter using least mean square (LMS) algorithm. …”
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1356
Exploring the Ruthenium-Ligands Bond and Their Relative Properties at Different Computational Methods
Published 2016-01-01“…It is observed that optimization of molecules of many light atoms with different functional methods results in significant geometrical variation in the values and order of the computed properties. …”
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1357
OPTIMIZATION OF THERMOPHYSICAL PROPERTIES, COMBUSTION PERFORMANCE AND HARMFUL EXHAUST GASES OF BIODIESEL FUEL WITH NANOPARTICLE ADDITIVES
Published 2022-10-01“…Since the physical and chemical properties of the fuel affect the atomization characteristics, it is important for increasing the combustion efficiency. …”
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1358
Magnetoelectric effect in van der Waals magnets
Published 2025-01-01“…This review emphasizes some important recent discoveries unique to vdW magnets: multiferroicity on two dimensions, spin-charge correlation, atomic ME effect and current-induced intrinsic spin-orbit torque, and electrical gating control and magnetic control of their electronic properties. …”
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1359
Corporate culture of Siberian warrant officers training schools during First World War
Published 2021-12-01“…The absence of this foundation is one of the reasons for the atomization of society — social disunity, which is expressed in a significant decrease in trust between people, the loss of the skills of collective problem solving and collective interaction. …”
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1360
Mechanical Properties Analysis of a Monolayer Biphenylene at Different Temperatures
Published 2024-04-01“…In addition, with the increase in temperature, the failure strain and Young's modulus have decreased due to the increase in the distance between the atoms and the decrease in energy. It has also been shown that the failure of BPN is brittle. …”
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