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60 ta ish

Ish: Effect of carbamazepine adsorption on the metal oxide nanoclusters for the design of a high-efficiency electrochemical sensor: a DFT study

  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. Metal organic framework coated MnO2 nanosheets delivering doxorubicin and self-activated DNAzyme for chemo-gene combinatorial treatment of cancer

    Yunbo Nie, Dan Li, Ying Peng +5

    Maqola202014 iqtibos
    ABI

  5. Sensing of carbamazepine by AlN and BN nanoclusters in gas and solvent phases: DFT and TD-DFT calculation

    Mir Saleh Hoseininezhad-Namin, Elaheh Rahimpour, Síbel A. Özkan +2

    Maqola20227 iqtibos
    ABI

  6. A cost-effective and sensitive voltammetric sensor for determination of baicalein in herbal medicine based on shuttle-shape α-Fe2O3 nanoparticle decorated multi-walled carbon nanotubes

    Jingtao Wu, Xiaodong Yue, Tianyu Wang +3

    Maqola20257 iqtibos
    ABI

  7. Carbon Nanotube Sensors for Gas and Organic Vapor Detection

    Jing Li, Yijiang Lu, Ye Qi +3

    Maqola20036 iqtibos
    ABI

  8. Effects of B and N doping/codoping on the adsorption behavior of C60 fullerene towards aspirin: A DFT investigation

    Fateme Nattagh, Sharieh Hosseini, Mehdi D. Esrafili

    Maqola20216 iqtibos
    ABI

  9. Theoretical study of adsorption of amino acids on graphene and BN sheet in gas and aqueous phase with empirical DFT dispersion correction

    Preeti Singla, Mohd Riyaz, Sonal Singhal +1

    Maqola20165 iqtibos
    ABI

  10. The drug delivery of hydrea anticancer by a nanocone-oxide: Computational assessments

    Mustafa M. Kadhim, Nazanin Sheibanian, Danial Ashoori +4

    Maqola20224 iqtibos
    ABI

  11. Ab initio study of solvated molecules: a new implementation of the polarizable continuum model

    Maurizio Cossi, Vincenzo Barone, Roberto Cammi +1

    Maqola19964 iqtibos
    ABI

  12. New approaches for improving semiconductor gas sensors

    Noboru Yamazoe

    Maqola19914 iqtibos
    ABI

  13. 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

  14. 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

  15. 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

  16. 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

  17. A synergistic interfacial engineering of NH2-MIL-125(Ti)/Ti3C2Tx heterojunction for sensing methyl parathion

    Huijun Guo, Huijun Guo, Xu Fan +6

    Maqola20264 iqtibos
    ABI

  18. 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

  19. Sarlavhasiz

    Boshqa3 iqtibos
    ABI

  20. Preparation of artificial substrate binding sites of nanozyme with “modular structure” strategy used for the construction of visual sensing analysis platform for levodopa

    Tianhao Li, Liuyue Xiao, Hui Ling +2

    Maqola20253 iqtibos
    ABI

  21. Nitric oxide adsorption on non-stoichiometric boron nitride fullerene: Structural stability, physicochemistry and drug delivery perspectives

    Ernesto Chigo Anota, A. Escobedo-Morales, H. Hernández‐Cocoletzi +1

    Maqola20153 iqtibos
    ABI

  22. Electromembrane extraction of tramadol from exhaled breath condensate and its liquid chromatographic analysis

    Mir Saleh Hoseininezhad-Namin, Behruoz Seyfinejad, Síbel A. Özkan +5

    Maqola20223 iqtibos
    ABI

  23. 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

  24. 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

  25. 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