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Ушбу иш иқтибос қилган ишлар

32 та иш

Иш: New FTIR and DFT Study of (CH3)2CO ··· HCl Hydrogen-Bonded Complex

  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. 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

  4. Atoms in molecules

    R. F. W. Bader

    Мақола198514 иқтибос
    ABI

  5. 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

  6. Intermolecular hydrogen bond interactions in the thiourea/water complexes (Thio-(H2O)n) (n = 1, …, 5): X-ray, DFT, NBO, AIM, and RDG analyses

    Feride Akman, Noureddine Issaoui, Аleksandr S. Kazachenko

    Мақола20209 иқтибос
    ABI

  7. Some useful correlations for H-bonded systems

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

    Мақола20208 иқтибос
    ABI

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

    Vytautas Balevičius, Valdas Šablinskas, I. Doroshenko +1

    Мақола20227 иқтибос
    ABI

  9. Structural transformations in bulk and matrix-isolated methanol from measured and computed infrared spectroscopy

    V. Pogorelov, Yelyzaveta Chernolevska, Yevhenii Vaskivskyi +8

    Мақола20165 иқтибос
    ABI

  10. 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

  11. Molecular Isomerization in n-Propanol Dimers

    I. Doroshenko, Yevhenii Vaskivskyi, Yelyzaveta Chernolevska +2

    МақолаMolecular Spectroscopy and StructureUkrainian Journal of Physics20204 иқтибос
    ABI

  12. 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

    Мақола20154 иқтибос
    ABI

  13. FTIR study of condensed water structure

    A. Vasylieva, I. Doroshenko, Yevhenii Vaskivskyi +2

    Мақола20184 иқтибос
    ABI

  14. Effects of Microsolvation on the Structures and Reactions of Neutral and Zwitterion Alanine:  Computational Study

    Doo‐Sik Ahn, Sungwoo Park, In‐Sun Jeon +4

    Мақола20032 иқтибос
    ABI

  15. Vibrational frequency analysis, FT-IR, DFT and M06-2X studies on tert-Butyl N-(thiophen-2yl)carbamate

    Yusuf Sert, Laci M. Singer, Michael Findlater +2

    Мақола20142 иқтибос
    ABI

  16. Effects of microsolvation on a S<sub>N</sub>2 reaction: indirect atomistic dynamics and weakened suppression of reactivity

    Li Yang, Xu Liu, Jiaxu Zhang +1

    Мақола20172 иқтибос
    ABI

  17. Experimental and theoretical DFT (B3LYP, X3LYP, CAM-B3LYP and M06-2X) study on electronic structure, spectral features, hydrogen bonding and solvent effects of 4-methylthiadiazole-5-carboxylic acid

    Isha Singh, Ali A. El‐Emam, Shilendra K. Pathak +4

    Мақола20192 иқтибос
    ABI

  18. Study of interacting mechanism of amino acid and Alzheimer's drug using vibrational techniques and computational method

    Jyotshna Saikia, Bhargab Borah, Th. Gomti Devi

    Мақола20202 иқтибос
    ABI

  19. Molecular Structure, NMR, FMO, MEP and NBO Analysis of ethyl-(Z)-3-phenyl-2-(5-phenyl-2H-1,2,3,4-tetraazol-2-yl)-2-propenoate Based on HF and DFT Calculations

    Ali Ramazani, Masoome Sheikhi, Hooriye Yahyaei

    Мақола20172 иқтибос
    ABI

  20. Comparative analysis of the H–F stretching band in absorption spectra of gas-phase complexes of HF with water, dimethyl ether, and acetone

    V. P. Bulychev, К. Г. Тохадзе

    Мақола20102 иқтибос
    ABI

  21. Сарлавҳасиз

    Бошқа1 иқтибос
    ABI

  22. Сарлавҳасиз

    Бошқа1 иқтибос
    ABI

  23. Сарлавҳасиз

    Бошқа1 иқтибос
    ABI

  24. Сарлавҳасиз

    Бошқа1 иқтибос
    ABI

  25. Сарлавҳасиз

    Бошқа1 иқтибос
    ABI