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  1. 501

    Herz-Morrey-Hardy Spaces with Variable Exponents and Their Applications by Jingshi Xu, Xiaodi Yang

    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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    Article
  2. 502

    Discovery of bicyclic borane molecule B14H26 by Xiaoni Zhang, Tomoko Fujino, Yasunobu Ando, Yuki Tsujikawa, Tianle Wang, Takeru Nakashima, Haruto Sakurai, Kazuki Yamaguchi, Masafumi Horio, Hatsumi Mori, Jun Yoshinobu, Takahiro Kondo, Iwao Matsuda

    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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  3. 503

    Crystal structure and Hirshfeld surface analysis of a new polymorph of chloridobis(1,10-phenanthroline-κ2N,N′)copper(II) perchlorate by Maksym O. Plutenko, Oleksandr S. Vynohradov, Matti Haukka, Irina A. Golenya, Snizhana V. Gaidai

    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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  4. 504

    Catalytic acceptorless complete dehydrogenation of cycloalkanes by Rahul A. Jagtap, Yuki Nishioka, Stephen M. Geddis, Yu Irie, Tsukasa Takanashi, Rintaro Adachi, Akira Yamakata, Masaaki Fuki, Yasuhiro Kobori, Harunobu Mitsunuma, Motomu Kanai

    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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  5. 505

    Protein Adsorption by Basal Plane Graphite Surfaces: Molecular Images and Nano-Structured Films by A. Orasanu-Gourlay, R.H. Bradley

    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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  6. 506

    Density functional theory study of Chlorine, Fluorine, Nitrogen, and Sulfur doped rutile TiO2 for photocatalytic application by Fikadu Takele Geldasa, Francis Birhanu Dejene, Mesfin Abayneh Kebede, Fekadu Gashaw Hone, Edosa Tasisa Jira

    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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  7. 507

    Realized stable BP-N at ambient pressure by phosphorus doping by Guo Chen, Chengfeng Zhang, Yuanqin Zhu, Bingqing Cao, Jie Zhang, Xianlong Wang

    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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    Article
  8. 508

    Compatibility of Environmentally Friendly Insulating Gases CF3I and c-C4F8 with Cu Contacts by Can Ding, Zhenjiang Gao, Xing Hu, Zhao Yuan

    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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    Article
  9. 509

    Nitrogen-carbon nanotubes as a basis for a new type of semiconductor materials for electronics devices by Irina V. Zaporotskova, Sergey V. Boroznin, Natalia P. Boroznina, Evgeniy S. Dryuchkov, Kseniya Yu. Verevkina, Yulia V Butenko, Pavel A. Zaporotskov, Lev V. Kozhitov, Alena V. Popkova, Aleksandr D. Grigoriev

    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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    Article
  10. 510

    Enhanced Chemical Insights into Fullerene Structures via Modified Polynomials by Ali N. A. Koam, Ali Ahmad, Raed Qahiti, Muhammad Azeem, Waleed Hamali

    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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  11. 511
  12. 512

    Study of Hardness of Superhard Crystals by Topological Indices by Xiujun Zhang, Muhammad Naeem, Abdul Qudair Baig, Manzoor Ahmad Zahid

    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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  13. 513

    The Theoretical Description for the Electrochemical Determination of Sucralose and Aspartame in Drinks by Volodymyr Tkach, Tetiana V. Morozova, Nataliia P. Shapovalova

    Published 2025-01-01
    “…Considering the accepting character of both sucralose chlorine atom and aspartame molecule, cathodic process is preferred. …”
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  14. 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... by Ahmed Shawqi Sadeq, Rassol Hamed Rasheed, Shaima Albazzaz, Mohammad N. Fares, Soheil Salahshour, Rozbeh Sabetvand

    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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  15. 515

    fragSMILES as a chemical string notation for advanced fragment and chirality representation by Fabrizio Mastrolorito, Fulvio Ciriaco, Maria Vittoria Togo, Nicola Gambacorta, Daniela Trisciuzzi, Cosimo Damiano Altomare, Nicola Amoroso, Francesca Grisoni, Orazio Nicolotti

    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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  16. 516

    Enhancing CO<sub>2</sub> Adsorption on MgO: Insights into Dopant Selection and Mechanistic Pathways by Shunnian Wu, W. P. Cathie Lee, Hashan N. Thenuwara, Xu Li, Ping Wu

    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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  17. 517

    Metal‐Mediated Chlorine Transfer for Molten Salt‐Driven Thermodynamic Change on Silicon Production by Minjun Je, Jin Chul Kim, Jiyeon Kim, Sungho Kim, Sunmin Ryu, Jaegeon Ryu, Sang Kyu Kwak, Soojin Park

    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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  18. 518

    Tuning Electronic Structure and Optical Properties of Monolayered h-BN by Doping C, Cu and Al by Qun Li, Tengchao Gao, Kuo Zhang, Xiangming Che, Guolong Ni

    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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    Article
  19. 519

    Topological Optimization Design and Analysis of Ultra-short Harmonic Flexspline by Yan Li, Qiuping Liu, Yang Wang, Qianqian Liu

    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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  20. 520

    Topological Indices of Families of Bistar and Corona Product of Graphs by A. Khalid, N. Kausar, M. Munir, M. Gulistan, M. M. Al-Shamiri, T. Lamoudan

    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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    Article