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501
Herz-Morrey-Hardy Spaces with Variable Exponents and Their Applications
Published 2015-01-01“…The authors introduce Herz-Morrey-Hardy spaces with variable exponents and establish the characterization of these spaces in terms of atom. Applying the characterization, the authors obtain the boundedness of some singular integral operators on these spaces.…”
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502
Discovery of bicyclic borane molecule B14H26
Published 2025-01-01“…Uniquely, this synthesis method involves a decomposition mechanism rather than traditional atom-by-atom assembly, marking an unique approach to constructing complex borane structures. …”
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503
Crystal structure and Hirshfeld surface analysis of a new polymorph of chloridobis(1,10-phenanthroline-κ2N,N′)copper(II) perchlorate
Published 2025-02-01“…The title salt (systematic name: 2-methyl-4-oxo-3,4-dihydroquinazolin-1-ium chloride), [CuCl(C12H8N2)2](ClO4), is comprised of a mononuclear complex cation [Cu(phen)2Cl]+ (phen is 1,10-phenanthroline) and a perchlorate anion, ClO4−, both with point group symmetry 2. The CuII atom has a slightly distorted trigonal–bipyramidal coordination environment, defined by a N4Cl coordination set with the Cl atom and two N atoms at the equatorial sites. …”
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504
Catalytic acceptorless complete dehydrogenation of cycloalkanes
Published 2025-01-01“…In this study, a catalyst system, facilitated by a double hydrogen atom transfer processes, has been devised for the catalytic acceptorless dehydrogenation of inert cycloalkanes at ambient temperature under visible light irradiation. …”
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505
Protein Adsorption by Basal Plane Graphite Surfaces: Molecular Images and Nano-Structured Films
Published 2006-03-01“…Plots of the surface nitrogen concentration (atom %) versus the protein solution concentration were type I in the Brunauer, Deming, Deming and Teller isotherm classification. …”
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506
Density functional theory study of Chlorine, Fluorine, Nitrogen, and Sulfur doped rutile TiO2 for photocatalytic application
Published 2025-01-01“…In order to move the rutile TiO2 absorption edge toward visible light, one atom of each dopant was substituted at oxygen atom locations in this work. …”
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507
Realized stable BP-N at ambient pressure by phosphorus doping
Published 2025-01-01“…Here, on the basis of first-principles simulations, we find that P-atom doping can effectively reduce the synthesis pressure of BP-N and maintain its stability at 0 GPa. …”
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508
Compatibility of Environmentally Friendly Insulating Gases CF3I and c-C4F8 with Cu Contacts
Published 2022-01-01“…There is a charge transfer between the F atoms and the Cu top surface. The electrons lost by Cu are transferred to F atoms. …”
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509
Nitrogen-carbon nanotubes as a basis for a new type of semiconductor materials for electronics devices
Published 2024-12-01“…The parameters of the electronic and energy structure of new semiconductor nanomaterials based on carbon nanotubes containing substitution atoms have been studied. The test carbon nanotubes contained specific substitution atom concentrations (15, 25 and 50%). …”
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510
Enhanced Chemical Insights into Fullerene Structures via Modified Polynomials
Published 2024-01-01“…Topological or numerical descriptors are used to associate important physicomolecular restrictions with important molecular structural features such as periodicity, melting and boiling points, and heat content for various 2 and 3D molecular preparation graphs or networking. The degree of an atom in a molecular network or molecular structure is utilized in this study to calculate the degree of atom-based numerics. …”
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511
85Kr Thickness Gauge Source in Measuring the Areal Density of Lithium Battery Electrodes
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512
Study of Hardness of Superhard Crystals by Topological Indices
Published 2021-01-01“…The aim of this paper is to study the hardness of some superhard BCx crystals by means of topological indices, specifically Randić index and atom-bond connectivity index.…”
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513
The Theoretical Description for the Electrochemical Determination of Sucralose and Aspartame in Drinks
Published 2025-01-01“…Considering the accepting character of both sucralose chlorine atom and aspartame molecule, cathodic process is preferred. …”
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514
Investigating the effect of electric field amplitude on the thermal behavior of paraffin/Cu nanostructure in a tube containing non-connected rotating ribs using molecular dynamics...
Published 2025-06-01“…The results indicate that as external electric field amplitudes increased from 0.01 to 0.05 V/m, various parameters of the simulated atomic sample show notable variations. Specifically, maximum density decreased from 0.0848 to 0.0836 atom/ų, while maximum velocity increased from 0.00496 to 0.00519 atom/Å. …”
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515
fragSMILES as a chemical string notation for advanced fragment and chirality representation
Published 2025-01-01“…However, such ‘atom-level’ string representations could have certain limitations, in terms of capturing information on chirality, and synthetic accessibility of the corresponding designs. …”
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516
Enhancing CO<sub>2</sub> Adsorption on MgO: Insights into Dopant Selection and Mechanistic Pathways
Published 2024-12-01“…Pristine and C-doped MgO engaged CO<sub>2</sub> through surface O atoms, while Al-, Si-, and Ti-doped MgO predominantly relied on dopant–O atom interactions. …”
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517
Metal‐Mediated Chlorine Transfer for Molten Salt‐Driven Thermodynamic Change on Silicon Production
Published 2025-01-01“…Above its melting temperature (Tm ≈ 192 °C), three AlCl3 molecules coordinate with each metal (M) atom (e.g., conventional Al and Mg, or even thermodynamically unfeasible Zn) to form metal‐AlCl3 complexes, M(AlCl3)3. …”
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518
Tuning Electronic Structure and Optical Properties of Monolayered h-BN by Doping C, Cu and Al
Published 2025-01-01“…Based on this, the effect of the concentration of C atom doping on the electronic and optical properties of Cu-Al co-doped BC<sub>x</sub>N (x = 0, 11.1% and 22.2%) is investigated. …”
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519
Topological Optimization Design and Analysis of Ultra-short Harmonic Flexspline
Published 2020-01-01“…The optimization problem is solved by using the criterion of optimization algorithm based on Abaqus/ATOM software. The secondary design is carried out by using the SolidWorks, and through the finite element analysis, the rationality of results before and after optimization are verified. …”
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520
Topological Indices of Families of Bistar and Corona Product of Graphs
Published 2022-01-01“…In this study, we study certain degree-based topological indices such as Randić index, Zagreb indices, multiplicative Zagreb indices, Narumi–Katayama index, atom-bond connectivity index, augmented Zagreb index, geometric-arithmetic index, harmonic index, and sum-connectivity index for the bistar graphs and the corona product KmoKn′, where Kn′ represents the complement of complete graph Kn.…”
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