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55 та иш

Иш: Synthesis, X-ray, Hirshfeld surface, DFT, non-covalent interaction, antihyperglycemic activity and molecular docking studies of (E)-N'-(2-chlorobenzylidene)-2-((5-phenyl-1H-pyrazol-3-yl)oxy)acetohydrazide

  1. A short history of<i>SHELX</i>

    George M. Sheldrick

    Мақола2007203 иқтибос
    ABI

  2. Crystal structure refinement with<i>SHELXL</i>

    George M. Sheldrick

    Мақола2014162 иқтибос
    ABI

  3. Multiwfn: A multifunctional wavefunction analyzer

    Tian Lu, Feiwu Chen

    Мақола2011110 иқтибос
    ABI

  4. 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

  5. Hirshfeld surface analysis

    Mark A. Spackman, Dylan Jayatilaka

    Мақола200861 иқтибос
    ABI

  6. Structure validation in chemical crystallography

    Anthony L. Spek

    Мақола200925 иқтибос
    ABI

  7. 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

  8. 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

  9. 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

  10. 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

  11. 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

  12. Synthesis, spectroscopic, topological, hirshfeld surface analysis, and anti-covid-19 molecular docking investigation of isopropyl 1-benzoyl-4-(benzoyloxy)-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3-carboxylate

    Arulraj Ramalingam, Murugavel Kuppusamy, Sivakumar Sambandam +5

    Мақола20224 иқтибос
    ABI

  13. A Molecular Orbital Theory of Reactivity in Aromatic Hydrocarbons

    Kenichi Fukui, Teijiro Yonezawa, Haruo Shingu

    Мақола19524 иқтибос
    ABI

  14. Synthesis and Pharmacological Activities of Pyrazole Derivatives: A Review

    Khalid Karrouchi, Smaail Radi, Youssef Ramli +4

    Шарҳ мақола20184 иқтибос
    ABI

  15. Discovery of sulfadrug–pyrrole conjugates as carbonic anhydrase and acetylcholinesterase inhibitors

    Mehmet Gümüş, Şemsi N. Babacan, Yeliz Demir +3

    Мақола20214 иқтибос
    ABI

  16. 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

  17. Nonlinear Dielectric Polarization in Optical Media

    D. A. Kleinman

    Мақола19623 иқтибос
    ABI

  18. Analysis of the geometry of the hydroxymethyl radical by the “different hybrids for different spins” natural bond orbital procedure

    John E. Carpenter, Frank Weinhold

    Мақола19883 иқтибос
    ABI

  19. Corrosion inhibition of carbon steel in 1 M H2SO4 using new Azo Schiff compound: Electrochemical, gravimetric, adsorption, surface and DFT studies

    Ali Ahmed Abdulridha, Mahmood A. Albo Hay Allah, Sajjad Q. Makki +3

    Мақола20203 иқтибос
    ABI

  20. Synthesis, crystal structure, DFT, α-glucosidase and α-amylase inhibition and molecular docking studies of (E)-N'-(4-chlorobenzylidene)-5-phenyl-1H-pyrazole-3-carbohydrazide

    Khalid Karrouchi, Saad Fettach, El Hassane Anouar +8

    Мақола20212 иқтибос
    ABI

  21. Understanding the Reactivity of Captodative Ethylenes in Polar Cycloaddition Reactions. A Theoretical Study

    Luís R. Domingo, Eduardo Chamorro, Patricia Pérez

    Мақола20082 иқтибос
    ABI

  22. Synthesis, spectrophotometric and DFT studies of new Triazole Schiff bases as selective naked-eye sensors for acetate anion

    Asim A. Balakit, Sajjad Q. Makki, Yusuf Sert +4

    Мақола20202 иқтибос
    ABI

  23. Inhibitors of α‐amylase and α‐glucosidase: Potential linkage for whole cereal foods on prevention of hyperglycemia

    Lingxiao Gong, Danning Feng, Tianxi Wang +3

    Шарҳ мақола20202 иқтибос
    ABI

  24. Investigation of hydrogen bonded structure of urea-water mixtures through Infra-red spectroscopy and non-covalent interaction (NCI) theoretical approach

    Férid Hammami, Noureddine Issaoui, Salah Nasr

    Мақола20212 иқтибос
    ABI

  25. Quantum Computational Investigation of (E)-1-(4-methoxyphenyl)-5-methyl-N′-(3-phenoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide

    Halil Gökçe, Fatih Şen, Yusuf Sert +3

    Мақола20222 иқтибос
    ABI