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461
Crystal structure of catena-poly[bis(N,O-dimethylhydroxylammonium) [di-μ-bromido-dibromidostannate(II)]]
Published 2025-01-01“…The asymmetric unit consists of one H3C—O—NH2+—CH3 cation (Me2HA+), one SnII atom located on a twofold rotation axis, and two Br atoms. …”
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462
A review of metal catalysts for lithium-sulfur battery applications
Published 2025-01-01“…Metal single atom catalysts have catalytic active sites that are shaped like a single metal atom. …”
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463
Fano resonated, ultrathin, flexible and ultrawideband absorption featured nano-metaatom structure with dispersion gap optimized for optical range applications
Published 2025-01-01“…Maximum visible spectrum wave interaction with the cascaded split nano square meta atom also ensured to achieve the absorption at highest percentage in numerical evaluation. …”
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464
Synthesis and Characterization of PPV Monomer for Subsequent Electropolymerization
Published 2015-01-01“…Organic synthesis of the monomer of poly(p-phenylenevinylene) was performed starting by the 2,5-dimethylphenol compound. An iodine atom was added to one end of the aromatic ring and then the iodine atom was substituted by a cyano group. …”
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465
Application of Adaptive Image Restoration Algorithm Based on Sparsity of Block Structure in Environmental Art Design
Published 2021-01-01“…In traditional sparse representation image restoration algorithms, the size of dictionary atoms is often fixed. When repairing the texture area, the dictionary atom will be too large to cause blurring. …”
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466
Study on the Simulation Method of the Ground Test in the Arc-Heated Wind Tunnel
Published 2020-01-01“…In addition, the oxygen atom mass fraction after the shock wave in the ground test is higher than that in the corresponding flight condition. …”
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467
An Experimental and Quantum Chemical Calculation Study on the Performance of Different Types of Ester Collectors
Published 2025-01-01“…The S atom polarizability, electrophilic, and nucleophilic attack index of PXA are the smallest, indicating that its electronic deformation capability and nucleophilicity are the weakest, and its collecting ability is the weakest. …”
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468
Synthesis and Characterization of Oxozirconium(IV), Dioxomolybdenum(VI) and Dioxotungsten(VI) with Ciprofloxacin and Norfloxacin Complexes
Published 2011-01-01“…FTIR spectra of both types of complexes suggest that CIP and NOR act as deprotonated bidentate ligands through the ring carbonyl oxygen atom and one of the oxygen atom of carboxylic group.…”
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469
Testing an Electronic Patient-Reported Outcome Platform in the Context of Traumatic Brain Injury: PRiORiTy Usability Study
Published 2025-01-01“…MethodsAtom5 was customized to enable individuals with TBI to report their symptoms. …”
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470
B3LYP Study on Reduction Mechanisms from O2 to H2O at the Catalytic Sites of Fully Reduced and Mixed-Valence Bovine Cytochrome 𝑐 Oxidases
Published 2010-01-01“…At the final stage of formation of first water molecule, the Cu(I) atom releases an electron to Fe-O. During the process of formation of second water molecule, the Cu atom maintains the oxidized state Cu(II). …”
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471
Density Functional Theory Investigation into the B and Ga Doped Clean and Water Covered γ-Alumina Surfaces
Published 2017-01-01“…The results show that the substitution of surface Al atom by B atom is not so favored as Ga atom. The substitution reaction prefers to occur at the tricoordinated A(4) sites. …”
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472
PERHITUNGAN NUMERIK RAPAT KEADAAN GRAPHENE BILAYER DENGAN MODEL TIGHT-BINDING MENGGUNAKAN METODE RAMBATAN WAKTU TROTTER-SUZUKI
Published 2023-08-01“…Semakin banyak atom yang ditinjau, semakin teratur perhitungan rapat keadaan yang dihasilkan. …”
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473
Modeling of structural and thermodynamics properties of sigma-phase for the Fe-Cr system
Published 2012-01-01“…The three- sub-lattice model (3SLM) for description of atom’s distribution of two components with different coordination numbers (12, 14 and 15), into s-phase structure depended on composition and temperature is depictured in this paper. …”
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474
Quantum dimer models with Rydberg gadgets
Published 2025-01-01“…The Rydberg blockade mechanism is an important ingredient in quantum simulators based on neutral atom arrays. It enables the emergence of a rich variety of quantum phases of matter, such as topological spin liquids. …”
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475
Hydrogen Storage Materials: Promising Materials for Kazakhstan’s Hydrogen Storage Industry
Published 2024-10-01Get full text
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476
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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477
Structural, Electronic, Elastic, Mechanical, and Opto-Electronic Properties for ZnAg2SnS4 and ZnAg2Sn0.93Fe0.07S4 Photocatalyst Effort on Wastewater Treatment through the First Pri...
Published 2023-01-01“…When the Ge (ZnAg2GeS4) atom has been swapped out by a Sn (ZnAg2SnS4) atom, the changes in band gap is noticeable, which rises from 0.94 eV to 1.15 eV with the same geometry and surface area. …”
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478
Synthesis, Structural Characterization, and Electrochemical Studies of New Oxovanadium(V) Complexes Derived from 2-Furanoylhydrazon Derivatives
Published 2013-01-01“…In the complexes 1, 2, and 3 the conformation of 2-furanyl oxygen atom relative to the carbohydrazide oxygen atom is s-anti, s-anti/s-syn, and s-syn at 293 K, respectively. …”
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479
Decoherence-enabled unconditional strongly sub-Poissonian squeezing
Published 2025-01-01“…The interactions with the atom make no contribution to the preparation of squeezed light. …”
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480
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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