Asosiy kontentga oʻtish
AkademIndex

Mahsulotlar

Ishlab chiquvchilar uchun

AkademBaseEkotizim uchun ochiq API
← Ishga qaytish

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

    Maqola2011110 iqtibos
    ABI

  2. VMD: Visual molecular dynamics

    William Humphrey, Andrew Dalke, Klaus Schulten

    Maqola199677 iqtibos
    ABI

  3. 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

  4. Atoms in molecules

    R. F. W. Bader

    Maqola198514 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 Structure20169 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, Аleksandr S. Kazachenko

    Maqola20209 iqtibos
    ABI

  7. Some useful correlations for H-bonded systems

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

    Maqola20208 iqtibos
    ABI

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

    Vytautas Balevičius, Valdas Šablinskas, I. Doroshenko +1

    Maqola20227 iqtibos
    ABI

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

    V. Pogorelov, Yelyzaveta Chernolevska, Yevhenii Vaskivskyi +8

    Maqola20165 iqtibos
    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

    Maqola20184 iqtibos
    ABI

  11. Molecular Isomerization in n-Propanol Dimers

    I. Doroshenko, Yevhenii Vaskivskyi, Yelyzaveta Chernolevska +2

    MaqolaMolecular Spectroscopy and StructureUkrainian Journal of Physics20204 iqtibos
    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

    Maqola20154 iqtibos
    ABI

  13. FTIR study of condensed water structure

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

    Maqola20184 iqtibos
    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

    Maqola20032 iqtibos
    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

    Maqola20142 iqtibos
    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

    Maqola20172 iqtibos
    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

    Maqola20192 iqtibos
    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

    Maqola20202 iqtibos
    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

    Maqola20172 iqtibos
    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

    Maqola20102 iqtibos
    ABI

  21. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  22. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  23. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  24. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  25. Sarlavhasiz

    Boshqa1 iqtibos
    ABI