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110 ta ish

Ish: Multiwfn: A multifunctional wavefunction analyzer

  1. Взаємодія валіну з молекулами води: дослідження методами DFT та раманівської спектроскопії

    А. Jumabaev, Utkirjon Holikulov, H. Hushvaktov +2

    MaqolaSpectroscopy and Quantum Chemical StudiesUkrainian Journal of Physics202219 iqtibos
    ABI

  2. Synthesis of the Three Mixed-ligand Metal Complexes and One Organic Salt of 3,5-Dinitrobenzoic Acid for Biopharmaceutical Optimization Through Monoethanolamine: Structures and DFT Studies of Complexes

    Avazbek B. Ibragimov, Jamshid Ashurov, Aziz B. Ibragimov +1

    MaqolaNonlinear Optical Materials ResearchJournal of Chemical Crystallography202013 iqtibos
    ABI

  3. Exploring the non-covalent interactions, vibrational and electronic properties of 2-methyl-4-hydro-1,3,4-triazol-thione-5 in different solutions

    Utkirjon Holikulov, Masrur Khodiev, Noureddine Issaoui +3

    MaqolaNonlinear Optical Materials ResearchJournal of King Saud University - Science202411 iqtibos
    ABI

  4. Noncovalent interactions in N-methylurea crystalline hydrates

    Аleksandr S. Kazachenko, Aleksandr S. Kazachenko, Noureddine Issaoui +6

    MaqolaCrystallography and molecular interactionsZeitschrift für Physikalische Chemie202310 iqtibos
    ABI

  5. Theoretical and experimental approach on investigation of ethylurea-water clusters

    Аleksandr S. Kazachenko, Aleksandr S. Kazachenko, Utkirjon Holikulov +6

    MaqolaCrystallography and molecular interactionsZeitschrift für Physikalische Chemie202310 iqtibos
    ABI

  6. Intermolecular interactions in ethanol solution of OABA: Raman, FTIR, DFT, M062X, MEP, NBO, FMO, AIM, NCI, RDG analysis

    А. Jumabaev, Utkirjon Holikulov, H. Hushvaktov +2

    MaqolaNonlinear Optical Materials ResearchJournal of Molecular Liquids20238 iqtibos
    ABI

  7. Intermolecular interactions in water and ethanol solution of ethyl acetate: Raman, DFT, MEP, FMO, AIM, NCI-RDG, ELF, and LOL analyses

    А. Jumabaev, Stève–Jonathan Koyambo-Konzapa, H. Hushvaktov +7

    MaqolaThermodynamic properties of mixturesJournal of Molecular Modeling20248 iqtibos
    ABI

  8. Estimation of electrostatic and covalent contributions to the enthalpy of H-bond formation in H-complexes of 1,2,3-benzotriazole with proton-acceptor molecules by IR spectroscopy and DFT calculations

    Masrur Khodiev, Utkirjon Holikulov, Noureddine Issaoui +3

    MaqolaChemical Thermodynamics and Molecular StructureJournal of King Saud University - Science20228 iqtibos
    ABI

  9. Solvent effect on the self-association of the 1,2,4-triazole: A DFT study

    Masrur Khodiev, Utkirjon Holikulov, А. Jumabaev +4

    MaqolaNonlinear Optical Materials ResearchJournal of Molecular Liquids20237 iqtibos
    ABI

  10. Over 17% efficiency all-small-molecule organic solar cells based on an organic molecular donor employing a 2D side chain symmetry breaking strategy

    Zhiya Li, Xunchang Wang, Nan Zheng +9

    MaqolaOrganic Electronics and PhotovoltaicsEnergy & Environmental Science20226 iqtibos
    ABI

  11. Molecular structure, vibrational spectral assignments, MEP, HOMO-LUMO, AIM, NCI, RDG, ELF, LOL properties of acetophenone and for its solutions based on DFT calculations

    А. Jumabaev, Bekzod Khudaykulov, Utkirjon Holikulov +6

    MaqolaNonlinear Optical Materials ResearchOptical Materials20256 iqtibos
    ABI

  12. The molecular structure, vibrational spectra, solvation effect, non-covalent interactions investigations of psilocin

    Utkirjon Holikulov, Аleksandr S. Kazachenko, Noureddine Issaoui +4

    MaqolaPsychedelics and Drug StudiesSpectrochimica Acta Part A Molecular and Biomolecular Spectroscopy20246 iqtibos
    ABI

  13. Novel 2-benzoyl-3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazole: Synthesis, characterization and computational analysis

    К. Г. Авезов, Bako B. Umarov, Bakhtiyor Ganiev +4

    MaqolaSynthesis and Biological EvaluationJournal of Molecular Structure20255 iqtibos
    ABI

  14. New triglycidyl ether triazine as a protective agent for metal: Comprehensive analysis

    Mourad Rafik, Omar Dagdag, Rachid Hsissou +11

    MaqolaSynthesis and Characterization of Heterocyclic CompoundsMaterials Chemistry and Physics20244 iqtibos
    ABI

  15. Synthesis investigation and exploring of new tetraglycidyl bisurea bisphenyl S polyepoxide as an excellent corrosion inhibitory resin for mild steel in 1M HCl environment: Comprehensive approaches

    Mouna Azogagh, Anouar El Magri, Rachid Hsissou +6

    MaqolaCorrosion Behavior and InhibitionJournal of Molecular Liquids20244 iqtibos
    ABI

  16. Synthesis and characterization of diglycidyl bisphenol A aryl ether sulfone epoxy resin as a corrosion inhibitor for mild steel in 1 M HCl solution: DFT, MC, and MD studies

    Mouna Azogagh, Chaymae Hejjaj, Rachid Hsissou +8

    MaqolaCorrosion Behavior and InhibitionPolymer Bulletin20254 iqtibos
    ABI

  17. Exploration of hydrogen evolution reaction (HER) by using first row transition metals doped B6 complexes as support materials

    Naveen Kosar, Tariq Mahmood, Abdulrahman Allangawi +2

    MaqolaMachine Learning in Materials ScienceInorganic Chemistry Communications20243 iqtibos
    ABI

  18. Structural, electronic and vibrational properties of L-asparagine

    U.A. Holikulov

    MaqolaDNA and Nucleic Acid Chemistry«Узбекский физический журнал»20233 iqtibos
    ABI

  19. Crystal structure, Hirshfeld surface analysis and DFT studies of tetrakis(μ-3-nitrobenzoato-κ<sup>2</sup> <i>O</i> <sup>1</sup>:<i>O</i> <sup>1′</sup>)bis[(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)copper(II)] dimethylformamide disolvate

    Mavlonbek Ziyaev, Jamshid Ashurov, Alisher G. Eshimbetov +1

    MaqolaMetal-Organic Frameworks: Synthesis and ApplicationsActa Crystallographica Section E Crystallographic Communications20212 iqtibos
    ABI

  20. Vibrational Spectra and Computational Study of Amyl Acetate: MEP, AIM, RDG, NCI, ELF and LOL Analysis

    А. Jumabaev, H. Hushvaktov, А. Absanov +3

    MaqolaCrystallography and molecular interactionsUkrainian Journal of Physics20242 iqtibos
    ABI

  21. Features of the 4-dimethylaminobenzoylhydrazone ethyl ester of 2.4-dioxopentanoic acid

    Bako B. Umarov, М. А. Турсунов, Jamshid Ashurov +5

    MaqolaSynthesis and Characterization of Heterocyclic CompoundsBIO Web of Conferences20242 iqtibos
    ABI

  22. Corrosion inhibition assessment of the Curcumis melon extract on low-carbon steel in 0.5 M H2SO4 using potentiodynamic polarization, electrochemical impedance spectroscopy, scanning electron microscope, DFT and MD simulation studies

    Hritik Jha, Akhil Saxena, Jasdeep Kaur +4

    MaqolaCorrosion Behavior and InhibitionThe European Physical Journal Plus20242 iqtibos
    ABI

  23. Synthesis and Structures of 5-(2,4-Dichlorophenyl)-1,3,4-Oxadiazole-2-Thione Alkyl Derivatives and Estimation of the Aromaticity of the Oxadiazole Ring

    R. Ya. Okmanov, U.S. Makhmudov, A. A. Ziyaev +4

    MaqolaStructural and Chemical Analysis of Organic and Inorganic CompoundsJournal of Structural Chemistry20242 iqtibos
    ABI

  24. Experimental and computational analysis of C≡N and C–H stretching bands in acetonitrile solutions

    А. Jumabaev, H. Hushvaktov, Ahmad Absanov +2

    MaqolaSpectroscopy and Quantum Chemical StudiesLow Temperature Physics20252 iqtibos
    ABI

  25. Raman and DFT study of non-covalent interactions in liquid benzophenone and its solutions

    Bekzod Khudaykulov, A. Norkulov, Utkirjon Holikulov +3

    MaqolaThermodynamic properties of mixturesLow Temperature Physics20252 iqtibos
    ABI