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55 ta ish

Ish: 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

    Maqola2007203 iqtibos
    ABI

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

    George M. Sheldrick

    Maqola2014162 iqtibos
    ABI

  3. Multiwfn: A multifunctional wavefunction analyzer

    Tian Lu, Feiwu Chen

    Maqola2011110 iqtibos
    ABI

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

    Chengteh Lee, Weitao Yang, Robert G. Parr

    Maqola198884 iqtibos
    ABI

  5. Hirshfeld surface analysis

    Mark A. Spackman, Dylan Jayatilaka

    Maqola200861 iqtibos
    ABI

  6. Structure validation in chemical crystallography

    Anthony L. Spek

    Maqola200925 iqtibos
    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

    MaqolaNonlinear Optical Materials ResearchJournal of King Saud University - Science202411 iqtibos
    ABI

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

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

    MaqolaCrystallography and molecular interactionsZeitschrift für Physikalische Chemie202310 iqtibos
    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

    Maqola20209 iqtibos
    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

    MaqolaThermodynamic properties of mixturesJournal of Molecular Modeling20248 iqtibos
    ABI

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

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

    MaqolaPsychedelics and Drug StudiesSpectrochimica Acta Part A Molecular and Biomolecular Spectroscopy20246 iqtibos
    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

    Maqola20224 iqtibos
    ABI

  13. A Molecular Orbital Theory of Reactivity in Aromatic Hydrocarbons

    Kenichi Fukui, Teijiro Yonezawa, Haruo Shingu

    Maqola19524 iqtibos
    ABI

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

    Khalid Karrouchi, Smaail Radi, Youssef Ramli +4

    Sharh maqola20184 iqtibos
    ABI

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

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

    Maqola20214 iqtibos
    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

    Maqola20213 iqtibos
    ABI

  17. Nonlinear Dielectric Polarization in Optical Media

    D. A. Kleinman

    Maqola19623 iqtibos
    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

    Maqola19883 iqtibos
    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

    Maqola20203 iqtibos
    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

    Maqola20212 iqtibos
    ABI

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

    Luís R. Domingo, Eduardo Chamorro, Patricia Pérez

    Maqola20082 iqtibos
    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

    Maqola20202 iqtibos
    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

    Sharh maqola20202 iqtibos
    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

    Maqola20212 iqtibos
    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

    Maqola20222 iqtibos
    ABI