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Ushbu ish iqtibos qilgan ishlar

56 ta ish

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

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

    Enrique Espinosa, Elı́es Molins, Claude Lecomte

    Maqola199816 iqtibos
    ABI

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

    Isabel Rozas, Ibón Alkorta, José Elguero

    Maqola200016 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

    Maqola200515 iqtibos
    ABI

  7. Atoms in molecules

    R. F. W. Bader

    Maqola198514 iqtibos
    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

    Maqola20209 iqtibos
    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

    Maqola20229 iqtibos
    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

    MaqolaNonlinear Optical Materials ResearchJournal of Molecular Liquids20238 iqtibos
    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

    Maqola20218 iqtibos
    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

    MaqolaChemical Thermodynamics and Molecular StructureJournal of King Saud University - Science20228 iqtibos
    ABI

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

    Bernard Silvi, Andreas Savin

    Maqola19946 iqtibos
    ABI

  14. Organic Optoelectronic Materials: Mechanisms and Applications

    Oksana Ostroverkhova

    Sharh maqola20166 iqtibos
    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

    Maqola20214 iqtibos
    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

    Maqola20224 iqtibos
    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

    Maqola20213 iqtibos
    ABI

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

    Sharmistha Datta, David Grant

    Sharh maqola20043 iqtibos
    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

    Maqola20213 iqtibos
    ABI

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

    Giuseppe Calvaruso, Angela Ruggirello, Vincenzo Turco Liveri

    Maqola20023 iqtibos
    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

    Maqola20213 iqtibos
    ABI

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

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

    Maqola20213 iqtibos
    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

    Maqola20223 iqtibos
    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

    Maqola20213 iqtibos
    ABI

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

    Natarajan Sathiyamoorthy Venkataramanan, Ambigapathy Suvitha

    Maqola20183 iqtibos
    ABI