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50 ta ish

Ish: Theoretical insights into the application of petal Graphyne monolayer as a promising sensor for propylene oxide

  1. Multiwfn: A multifunctional wavefunction analyzer

    Tian Lu, Feiwu Chen

    Maqola2011135 iqtibos
    ABI

  2. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

    Chengteh Lee, Weitao Yang, Robert G. Parr

    MaqolaOchiq kirish1988107 iqtibos
    ABI

  3. Electric Field Effect in Atomically Thin Carbon Films

    Kostya S. Novoselov, A. K. Geǐm, С. В. Морозов +5

    MaqolaOchiq kirish200475 iqtibos
    ABI

  4. The electronic properties of graphene

    A. H. Castro Neto, F. Guinea, N. M. R. Peres +2

    MaqolaOchiq kirish200944 iqtibos
    ABI

  5. The rise of graphene

    A. K. Geǐm, Kostya S. Novoselov

    MaqolaOchiq kirish200734 iqtibos
    ABI

  6. Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions

    R. Krishnan, J. Stephen Binkley, Rolf Seeger +1

    Maqola198032 iqtibos
    ABI

  7. Effect of the damping function in dispersion corrected density functional theory

    Stefan Grimme, Stephan Ehrlich, Lars Goerigk

    Maqola201132 iqtibos
    ABI

  8. Graphene: Status and Prospects

    A. K. Geǐm

    MaqolaOchiq kirish200916 iqtibos
    ABI

  9. Revealing Noncovalent Interactions

    Erin R. Johnson, Shahar Keinan, Paula Mori‐Sánchez +3

    Maqola201012 iqtibos
    ABI

  10. Biphenylene network: A nonbenzenoid carbon allotrope

    Qitang Fan, Linghao Yan, Matthias W. Tripp +8

    Maqola202111 iqtibos
    ABI

  11. Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint

    Alan E. Reed, Larry A. Curtiss, Frank Weinhold

    Sharh maqola19889 iqtibos
    ABI

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

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

    Maqola20226 iqtibos
    ABI

  13. Irida-graphene as a high-performance anode for sodium batteries

    Nicolas F. Martins, José A.S. Laranjeira, Guilherme S. L. Fabris +2

    Maqola20246 iqtibos
    ABI

  14. Adsorption of air pollutants onto silver and gold atomic clusters: DFT and PNO-LCCSD-F12 calculations

    Mohsen Doust Mohammadi, Nikolaos Patsalidis, Somnath Bhowmick +2

    Maqola20236 iqtibos
    ABI

  15. Graphene/Polymer Nanocomposites

    Hyunwoo Kim, Ahmed Abdala, Christopher W. Macosko

    Maqola20105 iqtibos
    ABI

  16. Biphenylene and Phagraphene as Lithium Ion Battery Anode Materials

    D. Ferguson, Debra J. Searles, Marlies Hankel

    Maqola20175 iqtibos
    ABI

  17. Electronic Properties of the Biphenylene Sheet and Its One-Dimensional Derivatives

    Mathew A. Hudspeth, Brandon Whitman, Verónica Barone +1

    Maqola20105 iqtibos
    ABI

  18. The electronic structure, transport and structural properties of nitrogen-decorated graphdiyne nanomaterials

    İskender Muz, Mustafa Kurban

    Maqola20204 iqtibos
    ABI

  19. Penta-graphene: A new carbon allotrope

    Shunhong Zhang, Jian Zhou, Qian Wang +3

    Maqola20154 iqtibos
    ABI

  20. Graphene in the Aquatic Environment: Adsorption, Dispersion, Toxicity and Transformation

    Jian Zhao, Zhenyu Wang, Jason C. White +1

    Sharh maqola20144 iqtibos
    ABI

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

    Mohsen Doust Mohammadi, Unnati Jethawa, Ajay Chaudhari

    Maqola20244 iqtibos
    ABI

  22. Graphene Quantum Dots

    Mitchell Bacon, Siobhan J. Bradley, Thomas Nann

    Maqola20133 iqtibos
    ABI

  23. The adsorption of bromomethane onto the exterior surface of aluminum nitride, boron nitride, carbon, and silicon carbide nanotubes: A PBC-DFT, NBO, and QTAIM study

    Mohsen Doust Mohammadi, Majid Hamzehloo

    Maqola20183 iqtibos
    ABI

  24. Theoretical characterization of tolanene: A new 2D sp-sp2 hybridized carbon allotrope

    Saif Ullah, Marcos G. Menezes, Alexander Silva

    Maqola20233 iqtibos
    ABI

  25. Two-dimensional metallic carbon allotrope with multiple rings for ion batteries

    Zishuang Cheng, Xiaoming Zhang, Hui Zhang +6

    Maqola20213 iqtibos
    ABI