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73 ta ish

Ish: DFT analysis to investigate the potential utilization of metal oxide nanoclusters as targeted drug delivery systems for valproic acid

  1. Multiwfn: A multifunctional wavefunction analyzer

    Tian Lu, Feiwu Chen

    Maqola2011135 iqtibos
    ABI

  2. General atomic and molecular electronic structure system

    Michael W. Schmidt, Kim K. Baldridge, Jerry A. Boatz +10

    Maqola199357 iqtibos
    ABI

  3. cclib: A library for package‐independent computational chemistry algorithms

    Noel M. O’Boyle, Adam L. Tenderholt, Karol M. Langner

    Maqola200732 iqtibos
    ABI

  4. The recent advancement of low-dimensional nanostructured materials for drug delivery and drug sensing application: A brief review

    Hamidur Rahman, Md. Rakib Hossain, Tahmina Ferdous

    Sharh maqola20207 iqtibos
    ABI

  5. Density functional theory (DFT) computation of pristine and metal-doped MC59 (M = Au, Hf, Hg, Ir) fullerenes as nitrosourea drug delivery systems

    Chioma G. Apebende, Goodness J. Ogunwale, Hitler Louis +4

    Maqola20235 iqtibos
    ABI

  6. Adsorption of Chlormethine Anti-Cancer Drug on Pure and Aluminum-Doped Boron Nitride Nanocarriers: A Comparative DFT Study

    Mahmoud A. A. Ibrahim, Al‐shimaa S. M. Rady, Asmaa M. A. Mandarawe +6

    Maqola20225 iqtibos
    ABI

  7. Elucidating the adsorption of 2-Mercaptopyridine drug on the aluminum phosphide (Al12P12) nanocage: A DFT study

    Al‐shimaa S. M. Rady, Nayra A. M. Moussa, Lamiaa A. Mohamed +6

    Maqola20235 iqtibos
    ABI

  8. Assessing BeO, MgO, and CaO nanocages for a facile detection of hazardous phosgene oxime along with DFT calculations

    Mohamed J. Saadh, M. Mirzaei, Sherzod Abdullaev +4

    MaqolaThermal and Kinetic AnalysisColloids and Surfaces A Physicochemical and Engineering Aspects20234 iqtibos
    ABI

  9. New approaches for improving semiconductor gas sensors

    Noboru Yamazoe

    Maqola19914 iqtibos
    ABI

  10. Investigation the role of single vacancy defected on the performance of born carbide nanotube as an aspirin drug sensor

    Run Yang, Liyan Zhang, Zili Ma +2

    Maqola20204 iqtibos
    ABI

  11. Effects of Ge, Si, and B doping on the adsorption and detection properties of C60 fullerene towards methadone in gas and aqua phases: a DFT study

    Mir Saleh Hoseininezhad-Namin, Zahra Javanshir, Abolghasem Jouyban +2

    Maqola20234 iqtibos
    ABI

  12. Electronic and optical properties of 5-AVA-functionalized BN nanoclusters: a DFT study

    Alireza Soltani, Ahmad Sousaraei, Masoud Bezi Javan +2

    Maqola20164 iqtibos
    ABI

  13. Investigation on the potential application of some metal oxide nanoclusters in the detection of phenytoin in gas and solvent phases through density functional theory calculations

    Mir Saleh Hoseininezhad-Namin, Zahra Javanshir, Elaheh Rahimpour +1

    Maqola20234 iqtibos
    ABI

  14. Penicillamine functionalized B12N12 and B12CaN12 nanocages act as potential inhibitors of proinflammatory cytokines: A combined DFT analysis, ADMET and molecular docking study

    Yan Cao, Afrasyab Khan, Hanzaleh Balakheyli +9

    Maqola20214 iqtibos
    ABI

  15. Superalkali X3O (X = Li, Na, K) doped B12N12 nano-cages as a new drug delivery platform for chlormethine: A DFT approach

    Masoome Sheikhi, Sadegh Kaviani, Fatemeh Azarakhshi +1

    MaqolaOchiq kirish20223 iqtibos
    ABI

  16. Acetone adsorption to (BeO)12, (MgO)12 and (ZnO)12 nanoparticles and their graphene composites: A density functional theory (DFT) study

    Yamian Mo, H. B. Li, Ke Zhou +4

    Maqola20183 iqtibos
    ABI

  17. Development of a β-cyclodextrin-modified gold nanoparticle-assisted electromembrane extraction method followed by capillary electrophoresis for methadone determination in plasma

    Mir Saleh Hoseininezhad-Namin, Síbel A. Özkan, Elaheh Rahimpour +1

    Maqola20223 iqtibos
    ABI

  18. High selectivity of cyclic tetrapyrrole over tetrafuran and tetrathiophene toward toxic chemicals; A first-principles study

    Hasnain Sajid, Sidra Khan, Khurshid Ayub +1

    Maqola20203 iqtibos
    ABI

  19. Single layer of MX<sub>3</sub> (M = Ti, Zr; X = S, Se, Te): a new platform for nano-electronics and optics

    Yingdi Jin, Xingxing Li, Jinlong Yang

    Maqola20153 iqtibos
    ABI

  20. Investigation of aluminum nitride nanocarrier for drug delivery process of Favipiravir: A DFT study

    Mahmoud A. A. Ibrahim, Al‐shimaa S. M. Rady, Nayra A. M. Moussa +5

    Maqola20233 iqtibos
    ABI

  21. A DFT study on the transition metal doped BN and AlN nanocages as a drug delivery vehicle for the cladribine drug

    Elaheh Hosseinzadeh, Alireza Foroumadi, Loghman Firoozpour

    Maqola20233 iqtibos
    ABI

  22. Neurotransmitter amino acid adsorption on metal doped boron nitride nanosheets as biosensor: DFT study on neural disease prediagnosis system

    Buğracan Balkanlı, Numan Yüksel, Mehmet Ferdi Fellah

    Maqola20233 iqtibos
    ABI

  23. Deferiprone Detection by B24N24, AlB23N24, and GaB23N24 Nanoclusters in Gas and Solvent Phases: A DFT Study

    Mir Saleh Hoseininezhad-Namin, Behrouz Seyfinejad, Fatemeh Sadat Shamsadini +5

    Maqola20253 iqtibos
    ABI

  24. Sarlavhasiz

    Boshqa3 iqtibos
    ABI

  25. Sarlavhasiz

    BoshqaOchiq kirish2 iqtibos
    ABI