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39 ta ish

Ish: Experimental and computational analysis of C≡N and C–H stretching bands in acetonitrile solutions

  1. Multiwfn: A multifunctional wavefunction analyzer

    Tian Lu, Feiwu Chen

    Maqola2011110 iqtibos
    ABI

  2. 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

  3. Hydrogen bond strengths revealed by topological analyses of experimentally observed electron densities

    Enrique Espinosa, Elı́es Molins, Claude Lecomte

    Maqola199816 iqtibos
    ABI

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

    Isabel Rozas, Ibón Alkorta, José Elguero

    Maqola200016 iqtibos
    ABI

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

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

    Maqola200515 iqtibos
    ABI

  6. 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 Crystals202213 iqtibos
    ABI

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

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

    MaqolaMolecular spectroscopy and chiralityVibrational Spectroscopy202210 iqtibos
    ABI

  8. 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 Structure20169 iqtibos
    ABI

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

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

    MaqolaThermodynamic properties of mixturesJournal of Molecular Liquids20109 iqtibos
    ABI

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

    Richard F. W. Bader

    Maqola20108 iqtibos
    ABI

  11. 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

    Maqola20218 iqtibos
    ABI

  12. Raman spectra of CN vibrations of acetonitrile in aqueous and other solutions. Experimental results and <i>ab initio</i> calculations

    F. H. Tukhvatullin, А. Jumabaev, G. Muradov +2

    MaqolaMolecular spectroscopy and chiralityJournal of Raman Spectroscopy20058 iqtibos
    ABI

  13. 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

    Maqola20227 iqtibos
    ABI

  14. 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

    MaqolaThermodynamic properties of mixturesUkrainian Journal of Physics20147 iqtibos
    ABI

  15. 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

    MaqolaSpectroscopy and Quantum Chemical StudiesUkrainian Journal of Physics20237 iqtibos
    ABI

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

    Vytautas Balevičius, Valdas Šablinskas, I. Doroshenko +1

    Maqola20227 iqtibos
    ABI

  17. Long-wave Raman spectra of some normal alcohols

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

    Maqola20146 iqtibos
    ABI

  18. Facile synthesis of 4-aryl-N-(5-methyl-1H-pyrazol-3-yl)benzamides via Suzuki Miyaura reaction: Antibacterial activity against clinically isolated NDM-1-positive bacteria and their Docking Studies

    Gulraız Ahmad, Nasır Rasool, Muhammad Usman Qamar +4

    Maqola20214 iqtibos
    ABI

  19. Exploring the interaction of ionic liquids with Al12N12 and Al12P12 nanocages for better electrode-electrolyte materials in super capacitors

    Palwasha Khan, Muhammad Jamshaid, Sobia Tabassum +5

    Maqola20214 iqtibos
    ABI

  20. Aggregation of Molecules in Liquid Ethylene Glycol and Its Manifestation in Experimental Raman Spectra and Non-Empirical Calculations

    H. Hushvaktov, А. Jumabaev, G. Murоdоv +2

    MaqolaSpectroscopy and Quantum Chemical StudiesUkrainian Journal of Physics20204 iqtibos
    ABI

  21. 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

    Maqola20154 iqtibos
    ABI

  22. Computational Study of σ- and π-type Hydrogen Bonding in Acetonitrile-Water Clusters

    Doo‐Sik Ahn

    Maqola20034 iqtibos
    ABI

  23. Isotopic dilution study of self association in (CH3CN+CD3CN) mixture by scanning multichannel Raman difference technique and ab-initio calculations

    B. P. Asthana, Volker Deckert, Manish Shukla +1

    Maqola20004 iqtibos
    ABI

  24. Prediction of Vapor−Liquid Equilibria Data from C−H Band Shifts of Raman Spectra and Activity Coefficients at Infinite Dilution in Some Aqueous Systems

    Lu Ma, Haoran Li, Congmin Wang +2

    Maqola20053 iqtibos
    ABI

  25. Sarlavhasiz

    Boshqa1 iqtibos
    ABI