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44 ta ish

Ish: Exploring the non-covalent interactions, vibrational and electronic properties of 2-methyl-4-hydro-1,3,4-triazol-thione-5 in different solutions

  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. Über die Zuordnung von Wellenfunktionen und Eigenwerten zu den Einzelnen Elektronen Eines Atoms

    Timo Koopmans

    Maqola193419 iqtibos
    ABI

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

    Enrique Espinosa, Elı́es Molins, Claude Lecomte

    Maqola199818 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. Atoms in molecules

    R. F. W. Bader

    Maqola198517 iqtibos
    ABI

  9. 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

  10. 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

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

    Richard F. W. Bader

    Maqola201010 iqtibos
    ABI

  12. Intermolecular interaction study of l-Threonine in polar aprotic Solvent: Experimental and theoretical study

    Neelam Chetry, Th. Gomti Devi

    Maqola20219 iqtibos
    ABI

  13. 1,2,3-Triazole-containing hybrids as leads in medicinal chemistry: A recent overview

    Khurshed Bozorov, Jiangyu Zhao, Haji Akber Aisa

    Sharh maqolaOchiq kirishClick Chemistry and ApplicationsBioorganic & Medicinal Chemistry20197 iqtibos
    ABI

  14. Role of Frontier Orbitals in Chemical Reactions

    Kenichi Fukui

    Maqola19827 iqtibos
    ABI

  15. Sulfamic acid/water complexes (SAA-H2O(1-8)) intermolecular hydrogen bond interactions: FTIR,X-ray, DFT and AIM analysis

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

    MaqolaOchiq kirish20224 iqtibos
    ABI

  16. DFT and molecular docking study of the effect of a green solvent (water and DMSO) on the structure, MEP, and FMOs of the 1-ethylpiperazine-1,4-diium bis(hydrogenoxalate) compound

    Mouna Medimagh, Cherifa Ben Mleh, Noureddine Issaoui +5

    MaqolaOchiq kirish20223 iqtibos
    ABI

  17. Synthesis, structural studies and biological activities of three new 2-(pentadecylthio)-5-aryl-1,3,4-oxadiazoles

    Muhammad Naeem Ahmed, Khawaja Ansar Yasin, Shahid Hameed +4

    Maqola20162 iqtibos
    ABI

  18. Triazoles and Their Derivatives: Chemistry, Synthesis, and Therapeutic Applications

    Mohammed Mahbubul Matin, Priyanka Matin, Md. Rezaur Rahman +6

    Sharh maqolaOchiq kirish20222 iqtibos
    ABI

  19. Transition metal loaded carbon penta-belt SACs for hydrogen and oxygen evolution reactions and identification of systematic DFT method to characterize the main interacting orbital for non-periodic system

    Abdulrahman Allangawi, Khurshid Ayub, Mazhar Amjad Gilani +2

    Maqola20232 iqtibos
    ABI

  20. Unveiling the Potential of B3O3 Nanoflake as Effective Transporter for the Antiviral Drug Favipiravir: Density Functional Theory Analysis

    Muhammad Zahid, Naveen Kosar, Hasnain Sajid +3

    MaqolaOchiq kirish20232 iqtibos
    ABI

  21. Sarlavhasiz

    Boshqa2 iqtibos
    ABI

  22. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  23. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  24. Sarlavhasiz

    BoshqaOchiq kirish1 iqtibos
    ABI

  25. Sarlavhasiz

    Boshqa1 iqtibos
    ABI