Asosiy kontentga oʻtish
AkademIndex

Xizmatlar

← Ishga qaytish

Ushbu ish iqtibos qilgan ishlar

53 ta ish

Ish: Synthesis, structural analysis, and antimicrobial properties of (E)-2-((4-fluorobenzylidene) amino) phenol: A combined experimental and computational study

  1. Multiwfn: A multifunctional wavefunction analyzer

    Tian Lu, Feiwu Chen

    Maqola2011135 iqtibos
    ABI

  2. Vibrational Energy Distribution Analysis (VEDA): Scopes and limitations

    Michał H. Jamróz

    Maqola20138 iqtibos
    ABI

  3. Spectroscopic and quantum chemical computation on molecular structure, AIM, ELF, RDG, NCI, and NLO activity of 4-VINYL benzoic acid: A DFT approach

    R. Sukanya, D. Aruldhas, I. Hubert Joe +1

    Maqola20218 iqtibos
    ABI

  4. Impact of non-covalent interactions on FT-IR spectrum and properties of 4-methylbenzylammonium nitrate. A DFT and molecular docking study

    Mouna Medimagh, Noureddine Issaoui, Sofian Gatfaoui +4

    MaqolaOchiq kirish20217 iqtibos
    ABI

  5. 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

    MaqolaOchiq kirish20225 iqtibos
    ABI

  6. Molecular Structure, Electronic Properties, Reactivity (ELF, LOL, and Fukui), and NCI-RDG Studies of the Binary Mixture of Water and Essential Oil of Phlomis bruguieri

    Feride Akman, Azize Demirpolat, Aleksandr S. Kazachenko +4

    MaqolaOchiq kirish20235 iqtibos
    ABI

  7. Synthesis, spectroscopic, quantum computation, electronic, AIM, Wavefunction (ELF, LOL) and Molecular Docking investigation on (E)-1-(2,5-dichlorothiophen-3-yl)-3-(thiophen-2-yl)-2-propen-1-one

    S. Sangeetha Margreat, S. Ramalingam, Helmi Mohammed Al‐Maqtari +4

    Maqola20215 iqtibos
    ABI

  8. Structural insights, spectral, flourescence, Z-scan, C-H…O/N-H…O hydrogen bonding and AIM, RDG, ELF, LOL, FUKUI analysis, NLO activity of N-2(Methoxy phenyl) acetamide

    M. Jini Pramila, D. Arul Dhas, I. Hubert Joe +2

    Maqola20225 iqtibos
    ABI

  9. Solvent role in molecular structure level, structural and topology investigations, molecular docking and antimicrobial activity studies on sulpha drug derivative

    N. Elangovan, Natarajan Arumugam

    Maqola20245 iqtibos
    ABI

  10. Molecular structure, spectral studies, NBO, HOMO–LUMO profile, MEP and Mulliken analysis of 3β,6β-dichloro-5α-hydroxy-5α–cholestane

    Mahboob Alam, Soonheum Park

    Maqola20184 iqtibos
    ABI

  11. Synthesis, spectral analysis, antibacterial, antifungal, antioxidant and hemolytic activity studies of some new 2,5-disubstituted-1,3,4-oxadiazoles

    Sunil L. Dhonnar, Rahul A. More, Vishnu A. Adole +3

    Maqola20214 iqtibos
    ABI

  12. Theoretical structural analysis (FT-IR, FT-R), solvent effect on electronic parameters NLO, FMO, NBO, MEP, UV (IEFPCM model), Fukui function evaluation with pharmacological analysis on methyl nicotinate

    M. Vennila, R. Rathikha, S. Muthu +2

    Maqola20224 iqtibos
    ABI

  13. A proton transfer compound template phenylethylamine: Synthesis, a collective experimental and theoretical investigations

    Sofian Gatfaoui, Noureddine Issaoui, Thierry Roisnel +1

    MaqolaOchiq kirish20193 iqtibos
    ABI

  14. RETRACTED: Synthesis, solvent role, absorption and emission studies of cytosine derivative

    N. Elangovan, Natarajan Arumugam, Abdulrahman I. Almansour +4

    Maqola20243 iqtibos
    ABI

  15. Structural, Spectral, Pharmacokinetics Analysis (in-Silico), Drug-Likeness, NCI Analysis (ELF, LOL, IRI & DORI) & Molecular Docking Computations of 2-Hydroxy 2-Phenyl Acetophenone a DFT Approaches

    S. Mallika, N. Thirughanasambantham, B.K. Revathi +3

    Maqola20243 iqtibos
    ABI

  16. Vibrational spectra (experimental and theoretical), molecular structure, natural bond orbital, HOMO–LUMO energy, Mulliken charge and thermodynamic analysis of N′-hydroxy-pyrimidine-2-carboximidamide by DFT approach

    N.J. Jasmine, P.T. Muthiah, C. Arunagiri +1

    Maqola20153 iqtibos
    ABI

  17. Molecular structure, vibrational spectroscopic, NBO, HOMO–LUMO and Mulliken analysis of 4-methyl-3-nitro benzyl chloride

    M. Arivazhagan, R. Kavitha

    Maqola20113 iqtibos
    ABI

  18. Crystal structure, spectroscopic studies, DFT calculations, cyclic voltammetry and biological activity of a copper (II) Schiff base complex

    Wafa Benabid, Kamel Ouari, Sabrina Bendia +2

    Maqola20193 iqtibos
    ABI

  19. Synthesis, characterization and investigation of antibacterial and antifungal activities of novel 1,3-butadiene compounds

    Gökşin Aydınlı, Yasemin Özdamar, Cigdem Sayil +5

    Maqola20203 iqtibos
    ABI

  20. Synthesis, single crystal (XRD), Hirshfeld surface analysis, computational study (DFT) and molecular docking studies of (E)-4-((2-hydroxy-3,5-diiodobenzylidene)amino)-N-(pyrimidine)-2-yl) benzenesulfonamide

    N. Elangovan, S. Sowrirajan

    Maqola20213 iqtibos
    ABI

  21. Exploring the antibacterial activity of 1, 2 diaminoethane hexanedionic acid by spectroscopic, electronic, ELF, LOL, RDG analysis and molecular docking studies using DFT method

    C. Dabora Vincy, J.D. Deephlin Tarika, X.D. Divya Dexlin +2

    Maqola20213 iqtibos
    ABI

  22. (E)-4-((4-Bromobenzylidene) Amino)-N-(Pyrimidin-2-yl) Benzenesulfonamide from 4-Bromobenzaldehyde and Sulfadiazine, Synthesis, Spectral (FTIR, UV–Vis), Computational (DFT, HOMO–LUMO, MEP, NBO, NPA, ELF, LOL, RDG) and Molecular Docking Studies

    S. Sowrirajan, N. Elangovan, G. Ajithkumar +1

    Maqola20223 iqtibos
    ABI

  23. Synthesis, spectroscopic (13C/1H-NMR, FT-IR) investigations, quantum chemical modelling (FMO, MEP, NBO analysis), and antioxidant activity of the bis-benzimidazole molecule

    Amine Ouaket, Anas Chraka, Ihssane Raissouni +3

    Maqola20223 iqtibos
    ABI

  24. Solvent-solute interaction, thermodynamic behaviour, structural, chemical and anti-cancer biological properties of 3(2H)-furanone derivatives

    Sheryl Cherian Parakkal, Riya Datta, S. Muthu +2

    Maqola20233 iqtibos
    ABI

  25. Synthesis, solvent role in TD-DFT (IEFPCM model), fluorescence and reactivity properties, topology and molecular docking studies on sulfathiazole derivative

    Subramaniyan Arulmurugan, Jasmine P. Vennila, Helen P. Kavitha +5

    Maqola20243 iqtibos
    ABI