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Ушбу ишга иқтибос қилган ишлар

42 та иш

Иш: Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction

  1. Synthesis, crystal structure, DFT calculation and catalytic activity of a polymer complex of zinc(II) succinate with 2-amino-1,3,4-thiadiazole

    Guzal Nuralieva, Mushtariy Alieva, Bаtirbаy Tоrаmbеtоv +8

    МақолаMetal complexes synthesis and propertiesJournal of Molecular Structure20254 иқтибос
    ABI

  2. An aminopyrimidine-functionalized cage-based metal–organic framework exhibiting highly selective adsorption of C<sub>2</sub>H<sub>2</sub> and CO<sub>2</sub> over CH<sub>4</sub>

    Jingjing Jiao, Li Dou, Huimin Liu +6

    МақолаMetal-Organic Frameworks: Synthesis and ApplicationsDalton Transactions20162 иқтибос
    ABI

  3. Effect of chemical modification on electronic transport properties of carbyne

    G. R. Berdiyorov, Umedjon Khalilov, Hicham Hamoudi +1

    МақолаMolecular Junctions and NanostructuresJournal of Computational Electronics20212 иқтибос
    ABI

  4. Molecular levels unveil the membrane fouling mitigation mechanism of a superpotent N-rGO catalytic ozonation membrane: Interfacial catalytic reaction pathway and induced EfOM transformation reactions

    Zilong Song, Zhenbei Wang, Jun Ma +12

    МақолаMembrane Separation TechnologiesApplied Catalysis B: Environmental20222 иқтибос
    ABI

  5. Investigation of aluminum nitride monolayer with biphenylene network as a potential negative electrode for magnesium ion battery

    Chou‐Yi Hsu, Ali B.M. Ali, Hasan Ali Alsailawi +7

    МақолаAdvancements in Battery MaterialsJournal of Energy Storage20252 иқтибос
    ABI

  6. Ethanol and Water Adsorption on Close-Packed 3d, 4d, and 5d Transition-Metal Surfaces: A Density Functional Theory Investigation with van der Waals Correction

    Polina Tereshchuk, Juarez L. F. Da Silva

    МақолаAdvanced Chemical Physics StudiesThe Journal of Physical Chemistry C20121 иқтибос
    ABI

  7. Atomic level mechanisms of graphene healing by methane-based plasma radicals

    Umedjon Khalilov, Maksudbek Yusupov, G. Eshonqulov +2

    МақолаGraphene research and applicationsFlatChem20231 иқтибос
    ABI

  8. Enhancing the H2S and SO2 sensing capabilities of WS2 nanosheets by transition metal (Mo, Nb, Zr) adsorption: A DFT study

    Fadhil Faez, Farag M. A. Altalbawy, Prakash Kanjariya +6

    МақолаGas Sensing Nanomaterials and SensorsComputational and Theoretical Chemistry20251 иқтибос
    ABI

  9. Two-dimensional metallic Si2BC as a promising and high-performance anode material for magnesium-ion batteries: A DFT study

    Qamar Abuhassan, Mohamed Abu Shuheil, Luma Hussain Saleh +8

    МақолаAdvancements in Battery MaterialsComputational and Theoretical Chemistry20261 иқтибос
    ABI

  10. Density Functional Investigation of the Adsorption of Ethanol–Water Mixture on the Pt(111) Surface

    Polina Tereshchuk, Juarez L. F. Da Silva

    МақолаAdvanced Chemical Physics StudiesThe Journal of Physical Chemistry C20130 иқтибос
    ABI

  11. CO2 adsorption on Fe-doped graphene nanoribbons: First principles electronic transport calculations

    G. R. Berdiyorov, Hasan M. Abdullah, Mohammed Al Ezzi +3

    МақолаGraphene research and applicationsAIP Advances20160 иқтибос
    ABI

  12. Effect of Surface Symmetry on the Dissociative Adsorption of Water on Gallium Oxynitride

    G. R. Berdiyorov, Ahsanulhaq Qurashi, G. Eshonqulov +1

    МақолаSemiconductor materials and devicesThe Journal of Physical Chemistry C20170 иқтибос
    ABI

  13. Self-assembly of bis-salphen compounds: from semiflexible chains to webs of nanorings

    Sergey Pyrlin, Nicholas D. M. Hine, Arjan W. Kleij +1

    МақолаMolecular Junctions and NanostructuresSoft Matter20180 иқтибос
    ABI

  14. Electronic transport calculations for CO2 adsorption on calcium-decorated graphene nanoribbons

    F. Boltayev, G. Eshonqulov, G. R. Berdiyorov

    МақолаGraphene research and applicationsComputational Materials Science20180 иқтибос
    ABI

  15. Electronic transport of CNT-encapsulated carbyne

    G. R. Berdiyorov, G. Eshonqulov, Hicham Hamoudi

    МақолаGraphene research and applicationsComputational Materials Science20200 иқтибос
    ABI

  16. Effect of vacancy defects on the electronic transport properties of an Ag–ZnO–Pt sandwich structure

    G. R. Berdiyorov, F. Boltayev, G. Eshonqulov +1

    МақолаZnO doping and propertiesJournal of Computational Electronics20210 иқтибос
    ABI

  17. Reconstructing Reactivity in DynamicHost-Guest Systems at Atomistic Resolution:Amide Hydrolysis Under Confinement in theCavity of a Coordination Cage

    Massimo Delle Piane, Luca Pesce, Matteo Cioni +1

    ПрепринтSupramolecular Chemistry and ComplexesChemRxiv20220 иқтибос
    ABI

  18. Enhanced photocatalytic performance of Ag nanoparticle–TiO<sub>2−<i>X</i></sub> nanotube arrays obtained by a predischarge–deposition method and calcination in H<sub>2</sub>/N<sub>2</sub>

    Qihang Liu, Junjun Chen, Lang Zhang +7

    МақолаAdvanced Photocatalysis TechniquesReaction Chemistry & Engineering20230 иқтибос
    ABI

  19. Controllable development of a novel MXene-based reactive electrochemical ceramic membrane for efficient treatment of reverse osmosis concentrate

    Chen Li, Xiaomeng Shang, Zhenbei Wang +8

    МақолаMXene and MAX Phase MaterialsChemical Engineering Journal20240 иқтибос
    ABI

  20. Improvement of the ability of graphene by simultaneous cobalt (Co) and nitrogen (N) doping as an electrode for supercapacitor application

    Ming Ma, Yathrib Ajaj, Ali M. Hussein +6

    МақолаSupercapacitor Materials and FabricationDiamond and Related Materials20240 иқтибос
    ABI

  21. Synthesis, crystal structure, Hirshfeld surface analysis and DFT calculations of the coordination compound tetraaquabis{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetato-κ<i>O</i>}cobalt(II)

    Ekaterina Kinshakova, Bаtirbаy Tоrаmbеtоv, Simranjeet Kaur +2

    МақолаMetal complexes synthesis and propertiesActa Crystallographica Section E Crystallographic Communications20240 иқтибос
    ABI

  22. Selenium-based hetero-circulene monolayer: Coexistence of gapped Dirac fermions, heavy fermions and semiconductivity in a single quantum platform with lithium-ion battery applications

    Naga Venkateswara Rao Nulakani, Yarjan Abdul Samad, Ameen Shahid +2

    Мақола2D Materials and ApplicationsJournal of Energy Storage20250 иқтибос
    ABI

  23. Exploring transition metal-based electrocatalysts for carbon dioxide reduction: Towards enhanced product

    Narinderjit Singh Sawaran Singh, Maher Ali Rusho, Akmal Abilkasimov +8

    МақолаCO2 Reduction Techniques and CatalystsChemical Physics Letters20250 иқтибос
    ABI

  24. Enhanced optical properties of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si48.svg" display="inline" id="d1e782"> <mml:mi>β</mml:mi> </mml:math> -Ga <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si49.svg" display="inline" id="d1e787"> <mml:msub> <mml:mrow/> <mml:mrow> <mml:mn>2</mml:mn> </mml:mrow> </mml:msub> </mml:math> O <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si89.svg" display="inline" id="d1e795"> <mml:msub> <mml:mrow/> <mml:mrow> <mml:mn>3</mml:mn> <mml:mo>−</mml:mo> <mml:mi>x</mml:mi> </mml:mrow> </mml:msub> </mml:math> S <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si51.svg" display="inline" id="d1e808"> <mml:msub> <mml:mrow/> <mml:mrow> <mml:mi>x</mml:mi> </mml:mrow> </mml:msub> </mml:math> : A DFT study

    G. Eshonqulov, Anora Meyliyeva, Sh. U. Yuldashev +1

    МақолаGa2O3 and related materialsPhysica B Condensed Matter20250 иқтибос
    ABI

  25. Adsorption behaviors of organic nitrobenzene (C6H5NO2) and pyridine (C5H5N) molecules on the Sc, Ti and V modified MoSTe nanosheets: A comparative first principles study

    Ahamad Alewedee, Shoira Formanova, Pinank Patel +7

    Мақола2D Materials and ApplicationsMaterials Chemistry and Physics20250 иқтибос
    ABI