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43 ta ish

Ish: Exploring Noncovalent Interactions of Thiophene-2-Car¬boxylic Acid in Ethanol Via Vibrational Spectroscopy and DFT Calculations

  1. Multiwfn: A multifunctional wavefunction analyzer

    Tian Lu, Feiwu Chen

    Maqola2011135 iqtibos
    ABI

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

    Chengteh Lee, Weitao Yang, Robert G. Parr

    MaqolaOchiq kirish1988107 iqtibos
    ABI

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

    Axel D. Becke

    Maqola199399 iqtibos
    ABI

  4. VMD: Visual molecular dynamics

    William Humphrey, Andrew Dalke, Klaus Schulten

    Maqola199691 iqtibos
    ABI

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

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

    MaqolaOchiq kirishSpectroscopy and Quantum Chemical StudiesUkrainian Journal of Physics202220 iqtibos
    ABI

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

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

    Maqola200517 iqtibos
    ABI

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

    Isabel Rozas, Ibón Alkorta, José Elguero

    Maqola200017 iqtibos
    ABI

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

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

    MaqolaSurfactants and Colloidal SystemsMolecular Crystals and Liquid Crystals202216 iqtibos
    ABI

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

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

    MaqolaMolecular spectroscopy and chiralityVibrational Spectroscopy202214 iqtibos
    ABI

  10. 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 Modeling202413 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 Materials202512 iqtibos
    ABI

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

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

    MaqolaSpectroscopy and Quantum Chemical StudiesJournal of Molecular Structure201611 iqtibos
    ABI

  13. 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

    MaqolaOchiq kirishSpectroscopy and Quantum Chemical StudiesUkrainian Journal of Physics202311 iqtibos
    ABI

  14. Noncovalent interactions in N-methylurea crystalline hydrates

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

    MaqolaCrystallography and molecular interactionsZeitschrift für Physikalische Chemie202311 iqtibos
    ABI

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

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

    MaqolaCrystallography and molecular interactionsZeitschrift für Physikalische Chemie202311 iqtibos
    ABI

  16. Definition of Molecular Structure: By Choice or by Appeal to Observation?

    Richard F. W. Bader

    Maqola201010 iqtibos
    ABI

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

    Vytautas Balevičius, Valdas Šablinskas, I. Doroshenko +1

    Maqola20229 iqtibos
    ABI

  18. 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

    Maqola20038 iqtibos
    ABI

  19. Quantitative analysis of molecular surface based on improved Marching Tetrahedra algorithm

    Tian Lu, Feiwu Chen

    Maqola20128 iqtibos
    ABI

  20. Temperature evolution of cluster structure in n-hexanol, isolated in Ar and N2 matrices and in condensed states

    O.A. Mishchuk, I. Doroshenko, Valdas Šablinskas +1

    Maqola20158 iqtibos
    ABI

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

    Jun Zhang, Michael Dolg

    Maqola20158 iqtibos
    ABI

  22. 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 Physics20247 iqtibos
    ABI

  23. 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 Physics20257 iqtibos
    ABI

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

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

    MaqolaPsychedelics and Drug StudiesSpectrochimica Acta Part A Molecular and Biomolecular Spectroscopy20247 iqtibos
    ABI

  25. Long-wave Raman spectra of some normal alcohols

    G. А. Pitsevich, I. Doroshenko, V. Ye. Pogorelov +4

    Maqola20147 iqtibos
    ABI