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Ушбу иш иқтибос қилган ишлар

46 та иш

Иш: Formation of Hydrogen Bonding Network of Ethylurea-Ammonium Sulfamate Complexes

  1. Multiwfn: A multifunctional wavefunction analyzer

    Tian Lu, Feiwu Chen

    Мақола2011110 иқтибос
    ABI

  2. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

    Chengteh Lee, Weitao Yang, Robert G. Parr

    Мақола198884 иқтибос
    ABI

  3. VMD: Visual molecular dynamics

    William Humphrey, Andrew Dalke, Klaus Schulten

    Мақола199677 иқтибос
    ABI

  4. Density-functional thermochemistry. III. The role of exact exchange

    Axel D. Becke

    Мақола199374 иқтибос
    ABI

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

    Enrique Espinosa, Elı́es Molins, Claude Lecomte

    Мақола199816 иқтибос
    ABI

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

    Isabel Rozas, Ibón Alkorta, José Elguero

    Мақола200016 иқтибос
    ABI

  7. 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

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

    Utkirjon Holikulov, Masrur Khodiev, Noureddine Issaoui +3

    МақолаNonlinear Optical Materials ResearchJournal of King Saud University - Science202411 иқтибос
    ABI

  9. Hydrogen Bonding—New Insights

    Sławomir J. Grabowski

    Китоб200611 иқтибос
    ABI

  10. Noncovalent interactions in N-methylurea crystalline hydrates

    Аleksandr S. Kazachenko, Aleksandr S. Kazachenko, Noureddine Issaoui +6

    МақолаCrystallography and molecular interactionsZeitschrift für Physikalische Chemie202310 иқтибос
    ABI

  11. Theoretical and experimental approach on investigation of ethylurea-water clusters

    Аleksandr S. Kazachenko, Aleksandr S. Kazachenko, Utkirjon Holikulov +6

    МақолаCrystallography and molecular interactionsZeitschrift für Physikalische Chemie202310 иқтибос
    ABI

  12. 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

  13. Intermolecular interactions in water and ethanol solution of ethyl acetate: Raman, DFT, MEP, FMO, AIM, NCI-RDG, ELF, and LOL analyses

    А. Jumabaev, Stève–Jonathan Koyambo-Konzapa, H. Hushvaktov +7

    МақолаThermodynamic properties of mixturesJournal of Molecular Modeling20248 иқтибос
    ABI

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

    Richard F. W. Bader

    Мақола20108 иқтибос
    ABI

  15. 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

  16. Experimental and theoretical study of the sulfamic acid-urea deep eutectic solvent

    Аleksandr S. Kazachenko, Noureddine Issaoui, Mouna Medimagh +7

    Мақола20227 иқтибос
    ABI

  17. DFT Calculations of Some Important Radicals Used in the Nitroxide-Mediated Polymerization and Their HOMO‒LUMO, Natural Bond Orbital, and Molecular Electrostatic Potential Comparative Analysis

    Feride Akman, Аleksandr S. Kazachenko, Noureddine Issaoui

    Мақола20227 иқтибос
    ABI

  18. Molecular structure, vibrational spectral assignments, MEP, HOMO-LUMO, AIM, NCI, RDG, ELF, LOL properties of acetophenone and for its solutions based on DFT calculations

    А. Jumabaev, Bekzod Khudaykulov, Utkirjon Holikulov +6

    МақолаNonlinear Optical Materials ResearchOptical Materials20256 иқтибос
    ABI

  19. The molecular structure, vibrational spectra, solvation effect, non-covalent interactions investigations of psilocin

    Utkirjon Holikulov, Аleksandr S. Kazachenko, Noureddine Issaoui +4

    МақолаPsychedelics and Drug StudiesSpectrochimica Acta Part A Molecular and Biomolecular Spectroscopy20246 иқтибос
    ABI

  20. Tuning the Computational Evaluation of Spectroscopic, ELF, LOL, NCI analysis and Molecular Docking of Novel Anti COVID-19 Molecule 4-Dimethylamino Pyridinium 3, 5-Dichlorosalicylate

    J.D. Deephlin Tarika, X.D. Divya Dexlin, S. Madhankumar +2

    Мақола20215 иқтибос
    ABI

  21. A DFT Study on Intramolecular Hydrogen Bonding in 2-Substituted Phenols:  Conformations, Enthalpies, and Correlation with Solute Parameters

    Hans‐Gert Korth, Martine I. de Heer, Peter Mulder

    Мақола20022 иқтибос
    ABI

  22. On the Stereochemistry of the Synthesis of 1-(2-Cyano-2-Methoxyiminoacetyl)-3-Ethylurea and Its <i>E</i> -Configuration Crystal Structure

    Lucedio Greci, Patricia Carloni, Odofredo Mandrioli +3

    Мақола20032 иқтибос
    ABI

  23. Synthesis of Unsymmetrical Urea Derivatives via PhI(OAc)2 and Application in Late-Stage Drug Functionalization

    Subban Kathiravan, Prakriti Dhillon, Tianshu Zhang +1

    Мақола20242 иқтибос
    ABI

  24. Сарлавҳасиз

    Бошқа1 иқтибос
    ABI

  25. Сарлавҳасиз

    Бошқа1 иқтибос
    ABI