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79 ta ish

Ish: DFT investigation of mercaptopurine adsorption and molecular interactions on pristine and Ga-doped boron nitride T-graphene nanosheets

  1. Multiwfn: A multifunctional wavefunction analyzer

    Tian Lu, Feiwu Chen

    Maqola2011135 iqtibos
    ABI

  2. Self-Consistent Equations Including Exchange and Correlation Effects

    W. Kohn, L. J. Sham

    MaqolaOchiq kirish196559 iqtibos
    ABI

  3. The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

    Samuel Francis Boys, Fernando Bernardi

    Maqola197030 iqtibos
    ABI

  4. The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals

    Yan Zhao, Donald G. Truhlar

    MaqolaOchiq kirish200730 iqtibos
    ABI

  5. Structural and Electronic Properties of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>T</mml:mi></mml:math>Graphene: A Two-Dimensional Carbon Allotrope with Tetrarings

    Yu Liu, Gang Wang, Qingsong Huang +2

    Maqola201210 iqtibos
    ABI

  6. Sarlavhasiz

    BoshqaOchiq kirish7 iqtibos
    ABI

  7. A new integral equation formalism for the polarizable continuum model: Theoretical background and applications to isotropic and anisotropic dielectrics

    Éric Cancès, Benedetta Mennucci, J. Tomasi

    Maqola19977 iqtibos
    ABI

  8. The influence of polarization functions on molecular orbital hydrogenation energies

    P. C. Hariharan, John A. Pople

    Maqola19736 iqtibos
    ABI

  9. Silicon Carbide Based Nanotubes as a Sensing Material for Gaseous H2SiCl2

    Mohsen Doust Mohammadi, Hewa Y. Abdullah, Somnath Bhowmick +1

    Maqola20226 iqtibos
    ABI

  10. Sarlavhasiz

    Boshqa6 iqtibos
    ABI

  11. Self-consistent molecular orbital methods. XXIII. A polarization-type basis set for second-row elements

    Michelle Francl, William J. Pietro, Warren J. Hehre +4

    MaqolaOchiq kirish19825 iqtibos
    ABI

  12. Liposome composition in drug delivery design, synthesis, characterization, and clinical application

    Danielle E. Large, Rudolf G. Abdelmessih, Elizabeth Fink +1

    Sharh maqola20214 iqtibos
    ABI

  13. Adsorption of proteinogenic amino acid on Al‐ and C‐doped boron nitride nanotube (BNNT)

    Mohsen Doust Mohammadi, Hewa Y. Abdullah, Hitler Louis +2

    Maqola20234 iqtibos
    ABI

  14. Li-decorated B12C6N6 hybrid nanocage for sensing Cl2, COCl2, H2S and NH3 gas molecules

    Mohsen Doust Mohammadi, Unnati Jethawa, Ajay Chaudhari

    Maqola20244 iqtibos
    ABI

  15. Two‐Dimensional Nanomaterials for Biomedical Applications: Emerging Trends and Future Prospects

    David Chimene, Daniel L. Alge, Akhilesh K. Gaharwar

    Maqola20153 iqtibos
    ABI

  16. The capability of pure and modified boron carbide nanosheet as a nanocarrier for dacarbazine anticancer drug delivery: DFT study

    Chou‐Yi Hsu, Sarah Alwan Malik Al-Yasiri, A.H. Shather +5

    Maqola20243 iqtibos
    ABI

  17. Interaction of the Serine Amino Acid with BNNT, BNAlNT, and BC2NNT

    Mohsen Doust Mohammadi, Hewa Y. Abdullah

    Maqola20223 iqtibos
    ABI

  18. Sarlavhasiz

    Boshqa3 iqtibos
    ABI

  19. Sarlavhasiz

    Boshqa3 iqtibos
    ABI

  20. Sarlavhasiz

    Boshqa3 iqtibos
    ABI

  21. Sarlavhasiz

    Boshqa3 iqtibos
    ABI

  22. Sarlavhasiz

    Boshqa3 iqtibos
    ABI

  23. Sarlavhasiz

    Boshqa2 iqtibos
    ABI

  24. Sarlavhasiz

    BoshqaOchiq kirish2 iqtibos
    ABI

  25. Sarlavhasiz

    BoshqaOchiq kirish2 iqtibos
    ABI