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  1. First-Principles Study of Superlubricity of Two-Dimensional Graphene

  2. Density Functional Theory (DFT) and Time‐Dependent DFT

  3. Bilayers of Polycyclic Aromatic Hydrocarbons as Graphene Bilayer: A DFT

  4. Adsorption Properties and Disposal Efficiency of Cefuroxime …

  5. Control of proton transport and hydrogenation in double-gated graphene

  6. Density Functional Theory Investigation of Graphene

  7. Density Functional Theory Applied to Graphene - AZoM.com

  8. DFT calculations of graphene monolayer in presence of Fe …

  9. DFT study on electronic and optical properties of graphene

  10. Relaxation effects in twisted bilayer graphene: A multiscale …