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38 ta ish

Ish: Elucidating the Adsorption of Cytosine (C4H5N3O) Nucleobase on the Surface of MoSe2 Nanosheets Decorated with Os Atoms: Applications to DNA Biosensors

  1. Generalized Gradient Approximation Made Simple

    John P. Perdew, Kieron Burke, Matthias Ernzerhof

    Maqola1996153 iqtibos
    ABI

  2. Special points for Brillouin-zone integrations

    Hendrik J. Monkhorst, J.D. Pack

    Maqola197660 iqtibos
    ABI

  3. Self-Consistent Equations Including Exchange and Correlation Effects

    W. Kohn, L. J. Sham

    Maqola196544 iqtibos
    ABI

  4. Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction

    Stefan Grimme

    Maqola200642 iqtibos
    ABI

  5. Sarlavhasiz

    Boshqa39 iqtibos
    ABI

  6. The SIESTA method for<i>ab initio</i>order-<i>N</i>materials simulation

    José M. Soler, Emilio Artacho, Julian D. Gale +4

    Maqola200217 iqtibos
    ABI

  7. A fast and robust algorithm for Bader decomposition of charge density

    Graeme Henkelman, Andri Arnaldsson, Hannes Jónsson

    Maqola200512 iqtibos
    ABI

  8. Adsorption of O3, SO2 and SO3 gas molecules on MoS2 monolayers: A computational investigation

    Amirali Abbasi, Jaber Jahanbin Sardroodi

    Maqola201810 iqtibos
    ABI

  9. A grid-based Bader analysis algorithm without lattice bias

    Wenjie Tang, Edward Sanville, Graeme Henkelman

    Maqola20099 iqtibos
    ABI

  10. Investigation of the adsorption of ozone molecules on TiO2/WSe2 nanocomposites by DFT computations: Applications to gas sensor devices

    Amirali Abbasi, Jaber Jahanbin Sardroodi

    Maqola20179 iqtibos
    ABI

  11. Recent development of two-dimensional transition metal dichalcogenides and their applications

    Wonbong Choi, Nitin Choudhary, Gang Han +3

    Maqola20177 iqtibos
    ABI

  12. The adsorption of C containing organic molecules on the novel Pd5 and Pt5 cluster decorated WSe2 nanosheets: A DFT study

    Amirali Abbasi

    Maqola20252 iqtibos
    ABI

  13. First-principles investigations of metal (V, Nb, Ta)-doped monolayer MoS2: Structural stability, electronic properties and adsorption of gas molecules

    Jia Zhu, Hui Zhang, Yawen Tong +4

    Maqola20172 iqtibos
    ABI

  14. DFT study of the electronic properties and gas sensing characteristics of the novel Ag2O modified BP/BSe van der Waals heterostructures

    Amirali Abbasi

    Maqola20252 iqtibos
    ABI

  15. Modulation of the electronic properties of pristine and AlP-codoped stanene monolayers by the adsorption of CH<sub>2</sub>O and CH<sub>4</sub> molecules: a DFT study

    Amirali Abbasi

    Maqola20192 iqtibos
    ABI

  16. Exploration of sensing of nitrogen dioxide and ozone molecules using novel TiO2/Stanene heterostructures employing DFT calculations

    Amirali Abbasi, Jaber Jahanbin Sardroodi

    Maqola20182 iqtibos
    ABI

  17. Gas-sensing mechanism of Cr doped SnP3 monolayer to SF6 partial discharge decomposition components

    Yupeng Liu, Qu Zhou, Hongwan Mi +2

    Maqola20212 iqtibos
    ABI

  18. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  19. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  20. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  21. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  22. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  23. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  24. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  25. Sarlavhasiz

    Boshqa1 iqtibos
    ABI