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44 та иш

Иш: Raman and DFT study of non-covalent interactions in liquid benzophenone and its solutions

  1. Multiwfn: A multifunctional wavefunction analyzer

    Tian Lu, Feiwu Chen

    Мақола2011110 иқтибос
    ABI

  2. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

    Chengteh Lee, Weitao Yang, Robert G. Parr

    Мақола198884 иқтибос
    ABI

  3. VMD: Visual molecular dynamics

    William Humphrey, Andrew Dalke, Klaus Schulten

    Мақола199677 иқтибос
    ABI

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

    Axel D. Becke

    Мақола199374 иқтибос
    ABI

  5. 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

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

    Isabel Rozas, Ibón Alkorta, José Elguero

    Мақола200016 иқтибос
    ABI

  7. Hydrogen bonds: relation between lengths and electron densities at bond critical points

    T.-H. Tang, Eugen Deretey, Svend J. Knak Jensen +1

    Мақола200515 иқтибос
    ABI

  8. 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

  9. 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

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

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

    МақолаMolecular spectroscopy and chiralityVibrational Spectroscopy202210 иқтибос
    ABI

  11. 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

  12. 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

  13. Aggregation of molecules in liquid pyridine and its solutions: Raman spectra and quantum-chemical calculations

    F. H. Tukhvatullin, B.G. Hudayberdiev, А. Jumabaev +2

    МақолаThermodynamic properties of mixturesJournal of Molecular Liquids20109 иқтибос
    ABI

  14. 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

  15. 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

  16. Some useful correlations for H-bonded systems

    G. А. Pitsevich, Е.N. Kozlovskaya, А. E. Malevich +3

    Мақола20208 иқтибос
    ABI

  17. Experimental and theoretical study of the sulfamic acid-urea deep eutectic solvent

    Аleksandr S. Kazachenko, Noureddine Issaoui, Mouna Medimagh +7

    Мақола20227 иқтибос
    ABI

  18. Manifestation of Intermolecular Interactions in Raman Spectra and ab Initio Calculations of Molecular Aggregation in Liquid Ethylene Glycol

    F.N. Tukhvatullin, U. N. Tashkenbaev, А. Jumabaev +3

    МақолаThermodynamic properties of mixturesUkrainian Journal of Physics20147 иқтибос
    ABI

  19. 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

  20. Hydration of Sulfo and Methyl Groups in Dimethyl Sulfoxide Is Accompanied by the Formation of Red-Shifted Hydrogen Bonds and Improper Blue-Shifted Hydrogen Bonds:  An ab Initio Quantum Chemical Study

    Eva Mrázková, Pavel Hobza

    Мақола20036 иқтибос
    ABI

  21. 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

  22. Molecular level interaction of solvents (water, benzene and DMSO) analysis of the 2-Bromo-6-nitrotoluene's reactive charge transfer, docking, and spectroscopic properties

    P. Sangeetha, A. Prabakaran, Noureddine Issaoui +2

    Мақола20234 иқтибос
    ABI

  23. Comparison of Degrees of Potential-Energy-Surface Anharmonicity for Complexes and Clusters with Hydrogen Bonds

    Е.N. Kozlovskaya, I. Doroshenko, V. Pogorelov +2

    Мақола20184 иқтибос
    ABI

  24. Molecular Isomerization in n-Propanol Dimers

    I. Doroshenko, Yevhenii Vaskivskyi, Yelyzaveta Chernolevska +2

    МақолаMolecular Spectroscopy and StructureUkrainian Journal of Physics20204 иқтибос
    ABI

  25. Donor acceptor groups effect, polar protic solvents influence on electronic properties and reactivity of 2-Chloropyridine-4-carboxylic acid

    S. Selvakumari, C. Venkataraju, S. Muthu +2

    Мақола20223 иқтибос
    ABI