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50 ta ish

Ish: Theoretical assessment on Rh single-atom decoration of BN monolayer for sensing volatile biomarkers

  1. Generalized Gradient Approximation Made Simple

    John P. Perdew, Kieron Burke, Matthias Ernzerhof

    Maqola1996183 iqtibos
    ABI

  2. Multiwfn: A multifunctional wavefunction analyzer

    Tian Lu, Feiwu Chen

    Maqola2011126 iqtibos
    ABI

  3. General atomic and molecular electronic structure system

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

    Maqola199355 iqtibos
    ABI

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

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

    Maqola200730 iqtibos
    ABI

  5. Detection of individual gas molecules adsorbed on graphene

    F. Schedin, A. K. Geǐm, С. В. Морозов +4

    Maqola20078 iqtibos
    ABI

  6. A Broyden—Fletcher—Goldfarb—Shanno optimization procedure for molecular geometries

    John D. Head, Michael C. Zerner

    Maqola19858 iqtibos
    ABI

  7. DFT and MD investigations on the functionalized boron nitride nanotube as an effective drug delivery carrier for Carmustine anticancer drug

    Azam Mortazavifar, ‪Heidar Raissi, Alireza Akbari

    Maqola20187 iqtibos
    ABI

  8. The Effect of Basis Set Superposition Error (BSSE) on the Convergence of Molecular Properties Calculated with the Correlation Consistent Basis Sets

    Tanja van Mourik, Angela K. Wilson, Kirk A. Peterson +2

    Bob19986 iqtibos
    ABI

  9. Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data

    Alexandre Tkatchenko, Matthias Scheffler

    Maqola20096 iqtibos
    ABI

  10. Structure, Properties and Applications of Two‐Dimensional Hexagonal Boron Nitride

    Soumyabrata Roy, Xiang Zhang, Anand B. Puthirath +39

    Sharh maqola20215 iqtibos
    ABI

  11. Porous BN for hydrogen generation and storage

    Hui Zhang, Chuan‐Jia Tong, Yongsheng Zhang +2

    Maqola20154 iqtibos
    ABI

  12. On the prospects of using B4C3 as a potential electrode material for lithium-ion batteries

    Abdul Majid, Usama Najam, Sheraz Ahmad +1

    Maqola20244 iqtibos
    ABI

  13. Sarlavhasiz

    Boshqa3 iqtibos
    ABI

  14. Adsorption behavior of Rh-doped MoS2 monolayer towards SO2, SOF2, SO2F2 based on DFT study

    Xianxian Gui, Qu Zhou, Shudi Peng +2

    Maqola20203 iqtibos
    ABI

  15. Study the gas sensing properties of boron nitride nanosheets

    Muhammad Sajjad, Peter Feng

    Maqola20133 iqtibos
    ABI

  16. Sarlavhasiz

    Boshqa3 iqtibos
    ABI

  17. Sarlavhasiz

    Boshqa2 iqtibos
    ABI

  18. Sarlavhasiz

    Boshqa2 iqtibos
    ABI

  19. Sarlavhasiz

    Boshqa2 iqtibos
    ABI

  20. Sarlavhasiz

    Boshqa2 iqtibos
    ABI

  21. Sarlavhasiz

    Boshqa2 iqtibos
    ABI

  22. Sarlavhasiz

    Boshqa2 iqtibos
    ABI

  23. Sarlavhasiz

    Boshqa2 iqtibos
    ABI

  24. Sarlavhasiz

    Boshqa2 iqtibos
    ABI

  25. Sarlavhasiz

    Boshqa2 iqtibos
    ABI