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56 та иш

Иш: Theoretical and experimental approach on investigation of ethylurea-water clusters

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

    Enrique Espinosa, Elı́es Molins, Claude Lecomte

    Мақола199816 иқтибос
    ABI

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

    Isabel Rozas, Ibón Alkorta, José Elguero

    Мақола200016 иқтибос
    ABI

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

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

    Мақола200515 иқтибос
    ABI

  7. Atoms in molecules

    R. F. W. Bader

    Мақола198514 иқтибос
    ABI

  8. 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

  9. Hydrogen bonds interactions in biuret-water clusters: FTIR, X-ray diffraction, AIM, DFT, RDG, ELF, NLO analysis

    Аleksandr S. Kazachenko, Noureddine Issaoui, Abir Sagaama +7

    Мақола20229 иқтибос
    ABI

  10. Intermolecular interactions in ethanol solution of OABA: Raman, FTIR, DFT, M062X, MEP, NBO, FMO, AIM, NCI, RDG analysis

    А. Jumabaev, Utkirjon Holikulov, H. Hushvaktov +2

    МақолаNonlinear Optical Materials ResearchJournal of Molecular Liquids20238 иқтибос
    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

    Мақола20218 иқтибос
    ABI

  12. Estimation of electrostatic and covalent contributions to the enthalpy of H-bond formation in H-complexes of 1,2,3-benzotriazole with proton-acceptor molecules by IR spectroscopy and DFT calculations

    Masrur Khodiev, Utkirjon Holikulov, Noureddine Issaoui +3

    МақолаChemical Thermodynamics and Molecular StructureJournal of King Saud University - Science20228 иқтибос
    ABI

  13. Classification of chemical bonds based on topological analysis of electron localization functions

    Bernard Silvi, Andreas Savin

    Мақола19946 иқтибос
    ABI

  14. Organic Optoelectronic Materials: Mechanisms and Applications

    Oksana Ostroverkhova

    Шарҳ мақола20166 иқтибос
    ABI

  15. 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

    Мақола20214 иқтибос
    ABI

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

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

    Мақола20224 иқтибос
    ABI

  17. Synthesis, single crystal X-ray, spectroscopic and computational (DFT) studies 2,1-benzothiazine based hydrazone derivatives

    Shakeel Ahmad, Tariq Mahmood, Matloob Ahmad +5

    Мақола20213 иқтибос
    ABI

  18. Crystal structures of drugs: advances in determination, prediction and engineering

    Sharmistha Datta, David Grant

    Шарҳ мақола20043 иқтибос
    ABI

  19. Study of a new piperidone as an anti-Alzheimer agent: Molecular docking, electronic and intermolecular interaction investigations by DFT method

    Arulraj Ramalingam, Sivakumar Sambandam, Mouna Medimagh +3

    Мақола20213 иқтибос
    ABI

  20. FT-IR Investigation of the N-methylurea State in AOT Reversed Micelles

    Giuseppe Calvaruso, Angela Ruggirello, Vincenzo Turco Liveri

    Мақола20023 иқтибос
    ABI

  21. Intermolecular hydrogen bonds interactions in water clusters of ammonium sulfamate: FTIR, X-ray diffraction, AIM, DFT, RDG, ELF, NBO analysis

    Аleksandr S. Kazachenko, Feride Akman, Hafedh Abdelmoulahi +4

    Мақола20213 иқтибос
    ABI

  22. Non covalent interactions and molecular docking studies on morphine compound

    Abir Sagaama, Noureddine Issaoui, Omar M. Al-Dossary +2

    Мақола20213 иқтибос
    ABI

  23. Schiff Bases Derived from 2‐Amino‐6‐methylbenzothiazole, 2‐Amino‐5‐chloropyridine and 4‐Chlorobenzaldehyde: Structure, Computational Studies and Evaluation of Biological Activity

    Muhammad Hanif, Naveen Kosar, Tariq Mahmood +5

    Мақола20223 иқтибос
    ABI

  24. Quantum chemical studies on molecular structure, AIM, ELF, RDG and antiviral activities of hybrid hydroxychloroquine in the treatment of COVID-19: Molecular docking and DFT calculations

    Olfa Noureddine, Noureddine Issaoui, Mouna Medimagh +2

    Мақола20213 иқтибос
    ABI

  25. Nature of bonding and cooperativity in linear DMSO clusters: A DFT, AIM and NCI analysis

    Natarajan Sathiyamoorthy Venkataramanan, Ambigapathy Suvitha

    Мақола20183 иқтибос
    ABI