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Иш: Intermolecular Dynamics of Aniline in Ethyl Acetate: A Raman Spectroscopy and DFT Approach

  1. Multiwfn: A multifunctional wavefunction analyzer

    Tian Lu, Feiwu Chen

    Мақола2011110 иқтибос
    ABI

  2. VMD: Visual molecular dynamics

    William Humphrey, Andrew Dalke, Klaus Schulten

    Мақола199677 иқтибос
    ABI

  3. Density-functional thermochemistry. III. The role of exact exchange

    Axel D. Becke

    Мақола199374 иқтибос
    ABI

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

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

    МақолаSpectroscopy and Quantum Chemical StudiesUkrainian Journal of Physics202219 иқтибос
    ABI

  5. Behavior of Ylides Containing N, O, and C Atoms as Hydrogen Bond Acceptors

    Isabel Rozas, Ibón Alkorta, José Elguero

    Мақола200016 иқтибос
    ABI

  6. Study of formamide molecular clusters by Raman spectroscopy and quantum-chemical calculations

    H. Hushvaktov, Bekzod Khudaykulov, А. Jumabaev +3

    МақолаSurfactants and Colloidal SystemsMolecular Crystals and Liquid Crystals202213 иқтибос
    ABI

  7. 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

    МақолаNonlinear Optical Materials ResearchJournal of King Saud University - Science202411 иқтибос
    ABI

  8. Raman and ab initio study of intermolecular interactions in aniline

    А. Jumabaev, Bekzod Khudaykulov, I. Doroshenko +2

    МақолаMolecular spectroscopy and chiralityVibrational Spectroscopy202210 иқтибос
    ABI

  9. Noncovalent interactions in N-methylurea crystalline hydrates

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

    МақолаCrystallography and molecular interactionsZeitschrift für Physikalische Chemie202310 иқтибос
    ABI

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

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

    МақолаCrystallography and molecular interactionsZeitschrift für Physikalische Chemie202310 иқтибос
    ABI

  11. The structure of liquid alcohols and the temperature dependence of vibrational bandwidth

    V. Pogorelov, Л. А. Булавін, I. Doroshenko +2

    Мақола200410 иқтибос
    ABI

  12. Raman spectra and ab initio calculation of a structure of aqueous solutions of methanol

    H. Hushvaktov, F. H. Tukhvatullin, А. Jumabaev +4

    МақолаSpectroscopy and Quantum Chemical StudiesJournal of Molecular Structure20169 иқтибос
    ABI

  13. 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

    МақолаThermodynamic properties of mixturesJournal of Molecular Modeling20248 иқтибос
    ABI

  14. A New Insight into Non-covalent Interactions in 1,4-Disubstituted 1H-1,2,3-Triazole: Synthesis, X-ray structure, DFT calculations, in vitro Lipoxygenase Inhibition (LOX) and in silico Studies

    Muhammad Naeem Ahmed, Sadia Shabbir, Bakhtawar Batool +6

    Мақола20218 иқтибос
    ABI

  15. DFT Calculations of Some Important Radicals Used in the Nitroxide-Mediated Polymerization and Their HOMO‒LUMO, Natural Bond Orbital, and Molecular Electrostatic Potential Comparative Analysis

    Feride Akman, Аleksandr S. Kazachenko, Noureddine Issaoui

    Мақола20227 иқтибос
    ABI

  16. Formation of Hydrogen Bonds and Vibrational Processes in Dimethyl Sulfoxide and Its Aqueous Solutions: Raman Spectroscopy and Ab Initio Calculations

    А. Jumabaev, H. Hushvaktov, B. Khudaykulov +4

    МақолаSpectroscopy and Quantum Chemical StudiesUkrainian Journal of Physics20237 иқтибос
    ABI

  17. Propanol Clustering in Argon Matrix: 2D FTIR Correlation Spectroscopy

    Vytautas Balevičius, Valdas Šablinskas, I. Doroshenko +1

    Мақола20227 иқтибос
    ABI

  18. ABCluster: the artificial bee colony algorithm for cluster global optimization

    Jun Zhang, Michael Dolg

    Мақола20157 иқтибос
    ABI

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

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

    МақолаPsychedelics and Drug StudiesSpectrochimica Acta Part A Molecular and Biomolecular Spectroscopy20246 иқтибос
    ABI

  20. Classification of chemical bonds based on topological analysis of electron localization functions

    Bernard Silvi, Andreas Savin

    Мақола19946 иқтибос
    ABI

  21. New Heterocyclic Compound as Carbon Steel Corrosion Inhibitor in 1 M H<sub>2</sub>SO<sub>4</sub>, High Efficiency at Low Concentration: Experimental and Theoretical Studies

    Mahmood A. Albo Hay Allah, Asim A. Balakit, Hamida Idan Salman +2

    Мақола20225 иқтибос
    ABI

  22. Quantum computational, spectroscopic investigations on N-(2-((2-chloro-4,5-dicyanophenyl)amino)ethyl)-4-methylbenzenesulfonamide by DFT/TD-DFT with different solvents, molecular docking and drug-likeness researches

    Necmi Dege, Halil Gökçe, Onur Erman Doĝan +4

    Мақола20224 иқтибос
    ABI

  23. Intermolecular H‐bond in propan‐2‐ol and its solutions with acetonitrile

    F. H. Tukhvatullin, А. Jumabaev, H. Hushvaktov +2

    МақолаMolecular Spectroscopy and StructureJournal of Raman Spectroscopy20074 иқтибос
    ABI

  24. Deep Eutectic Solvents: A Review of Fundamentals and Applications

    Benworth Hansen, Stephanie Spittle, Brian Chen +16

    Шарҳ мақола20203 иқтибос
    ABI

  25. Solvent effects on the structural, spectroscopic, electronic properties, NCI-RDG analysis, molecular docking and molecular dynamics studies of 1-benzyl-indole-3-carbinol

    Stève–Jonathan Koyambo-Konzapa, R. Premkumar, George Amolo +1

    Мақола20243 иқтибос
    ABI