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Adsorbate-driven dynamic active sites in stannosilicate zeolites
Published 2025-01-01“…These results provide new comprehensive insights for the fundamental understanding of the dynamic and flexible active centers and involved reaction mechanisms of novel zeolite catalysts with heterometal atoms, such as Sn, Ti, and Zr.…”
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542
Nanostructural theory of metal melts. Foundry production and metallurgy
Published 2020-10-01“…It has been shown that atomic and atomic cluster theories cannot be the basis for theories of crystallization and modification of metals and alloys. …”
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543
Γα,β-BE-Algebras
Published 2023-01-01“…We introduced the concept of atomic α,β-filter a Γα,β-BE-algebra and gave the necessary and sufficient condition for an α,β-filter to be atomic.…”
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544
Impact of Gd, Pr, Yb, and Nd doping on the magnetic properties of Mg-ferrite nanoparticles
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545
Electrochemical deposition of La-Mg alloys in LaCl3-MgCl2-KCl system with molten salt electrolysis process
Published 2014-01-01“…Energy dispersive spectrometry (EDS) and Inductively Coupled Plasma-Atomic Emission Spectroscopy (ICP-AES) analyses showed that chemical compositions of La-Mg alloys were consistent with phase structures of XRD pattern, and magnesium content in the alloy could be controlled by electrolysis parameters. …”
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546
Description of Weak Halogen Bonding Using Various Levels of Symmetry-Adapted Perturbation Theory Combined with Effective Core Potentials
Published 2017-01-01“…The present work starts with providing a description of the halogen bonding (XB) interaction between the halogen atom of MH3X (where M = C–Pb and X = I, At) and the N atom of HCN. …”
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547
Nanohydroxyapatite Application to Osteoporosis Management
Published 2013-01-01“…This is based on the concept that the mineral atoms arranged in a crystal structure of hydroxyapatite can be substituted or incorporated by the other mineral atoms. …”
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548
Electrocatalytic CO Reduction to Produce Long‐chain Products Through Fischer‐Tropsch Pathway
Published 2025-02-01“…Unlike thermocatalytic FTS, where adsorbed H atoms form via H2 dissociation, in this electrocatalytic version, the H atoms are generated through the Volmer reaction from water. …”
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549
Systematic softening in universal machine learning interatomic potentials
Published 2025-01-01“…Abstract Machine learning interatomic potentials (MLIPs) have introduced a new paradigm for atomic simulations. Recent advancements have led to universal MLIPs (uMLIPs) that are pre-trained on diverse datasets, providing opportunities for universal force fields and foundational machine learning models. …”
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550
Design Space Approach in Optimization of Fluid Bed Granulation and Tablets Compression Process
Published 2012-01-01“…Type of diluent and atomization pressure were selected as the most important parameters. …”
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551
Temperature Dependence of Thermophysical Properties of Full-Scale Corium of Fast Energy Reactor
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552
A DFT Study of Structural and Bonding Properties of Complexes Obtained from First-Row Transition Metal Chelation by 3-Alkyl-4-phenylacetylamino-4,5-dihydro-1H-1,2,4-triazol-5-one a...
Published 2017-01-01“…Geometry optimizations have been performed in gas-phase and solution-phase (water, benzene, and N,N-dimethylformamide (DMF)) with B3LYP/Mixed I (LanL2DZ for metal atom and 6-31+G(d,p) for C, N, O, and H atoms) and with B3LYP/Mixed II (6-31G(d) for metal atom and 6-31+G(d,p) for C, N, O, and H atoms) especially in the gas-phase. …”
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553
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554
A Quantum Mermin-Wagner Theorem for a Generalized Hubbard Model
Published 2013-01-01“…(Physically, vertex i represents a heavy “atom” or “ion” that does not move but attracts a number of “light” particles.) …”
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555
A Single-Mode 852-nm Faraday Laser
Published 2024-01-01“…Realizing always atomic translation frequency output, single-mode, high frequency stability, narrow linewidth semiconductor lasers, is one of the ultimate visions of areas related to quantums, such as quantum precision measurement and atomic physics. …”
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556
Analytical control in metallurgical production
Published 2001-11-01“…The capabilities of the atomic-emission analysis in the foundry industry are shown when the composition of the starting raw material and final production are controlled. …”
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557
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Chemical heat derived from rocket-borne WADIS-2 experiment
Published 2024-12-01“…Furthermore, we determine the heating efficiency for one of the most significant reactions of atomic hydrogen with ozone and illustrate the methodology for such calculations based on known atomic oxygen and temperature. …”
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560
Sub-nanometer depth resolution and single dopant visualization achieved by tilt-coupled multislice electron ptychography
Published 2025-01-01“…Abstract Real-space, three-dimensional imaging of atomic structures in materials science is a critical yet challenging task. …”
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