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Иш: 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

    Мақола1996183 иқтибос
    ABI

  2. Multiwfn: A multifunctional wavefunction analyzer

    Tian Lu, Feiwu Chen

    Мақола2011126 иқтибос
    ABI

  3. General atomic and molecular electronic structure system

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

    Мақола199355 иқтибос
    ABI

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

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

    Мақола200730 иқтибос
    ABI

  5. Detection of individual gas molecules adsorbed on graphene

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

    Мақола20078 иқтибос
    ABI

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

    John D. Head, Michael C. Zerner

    Мақола19858 иқтибос
    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

    Мақола20187 иқтибос
    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

    Боб19986 иқтибос
    ABI

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

    Alexandre Tkatchenko, Matthias Scheffler

    Мақола20096 иқтибос
    ABI

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

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

    Шарҳ мақола20215 иқтибос
    ABI

  11. Porous BN for hydrogen generation and storage

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

    Мақола20154 иқтибос
    ABI

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

    Abdul Majid, Usama Najam, Sheraz Ahmad +1

    Мақола20244 иқтибос
    ABI

  13. Сарлавҳасиз

    Бошқа3 иқтибос
    ABI

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

    Xianxian Gui, Qu Zhou, Shudi Peng +2

    Мақола20203 иқтибос
    ABI

  15. Study the gas sensing properties of boron nitride nanosheets

    Muhammad Sajjad, Peter Feng

    Мақола20133 иқтибос
    ABI

  16. Сарлавҳасиз

    Бошқа3 иқтибос
    ABI

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    Бошқа2 иқтибос
    ABI

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    Бошқа2 иқтибос
    ABI

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    Бошқа2 иқтибос
    ABI

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    Бошқа2 иқтибос
    ABI

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    Бошқа2 иқтибос
    ABI

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    Бошқа2 иқтибос
    ABI

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    Бошқа2 иқтибос
    ABI

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    Бошқа2 иқтибос
    ABI

  25. Сарлавҳасиз

    Бошқа2 иқтибос
    ABI