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Ushbu ish iqtibos qilgan ishlar

32 ta ish

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

  1. Multiwfn: A multifunctional wavefunction analyzer

    Tian Lu, Feiwu Chen

    Maqola2011135 iqtibos
    ABI

  2. VMD: Visual molecular dynamics

    William Humphrey, Andrew Dalke, Klaus Schulten

    Maqola199691 iqtibos
    ABI

  3. 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

  4. Atoms in molecules

    R. F. W. Bader

    Maqola198517 iqtibos
    ABI

  5. 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

  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, Aleksandr S. Kazachenko

    Maqola20209 iqtibos
    ABI

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

    Vytautas Balevičius, Valdas Šablinskas, I. Doroshenko +1

    Maqola20229 iqtibos
    ABI

  8. Some useful correlations for H-bonded systems

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

    Maqola20208 iqtibos
    ABI

  9. 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

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

    V. Pogorelov, Yelyzaveta Chernolevska, Yevhenii Vaskivskyi +8

    Maqola20166 iqtibos
    ABI

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

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

    MaqolaOchiq kirish20185 iqtibos
    ABI

  12. Molecular Isomerization in n-Propanol Dimers

    I. Doroshenko, Yevhenii Vaskivskyi, Yelyzaveta Chernolevska +2

    MaqolaOchiq kirishMolecular Spectroscopy and StructureUkrainian Journal of Physics20204 iqtibos
    ABI

  13. FTIR study of condensed water structure

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

    Maqola20184 iqtibos
    ABI

  14. 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

    Maqola20103 iqtibos
    ABI

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

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

    Maqola20032 iqtibos
    ABI

  16. 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

    Maqola20142 iqtibos
    ABI

  17. 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

    Maqola20172 iqtibos
    ABI

  18. 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

    MaqolaOchiq kirish20192 iqtibos
    ABI

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

    Jyotshna Saikia, Bhargab Borah, Th. Gomti Devi

    Maqola20202 iqtibos
    ABI

  20. 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

    MaqolaOchiq kirish20172 iqtibos
    ABI

  21. Sarlavhasiz

    Boshqa2 iqtibos
    ABI

  22. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  23. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  24. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  25. Sarlavhasiz

    Boshqa1 iqtibos
    ABI