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  1. DFT screening of adsorption of biodiesel molecules on aluminum …

  2. Adsorption and diffusion of oxygen on metal surfaces studied …

  3. Metal Oxide Surfaces and Their Interactions with Aqueous …

  4. Hydrodeoxygenation of butyric acid at multi-functional Nb2O5 …

  5. Including dispersion in density functional theory for adsorption

  6. DFT-Based Method for More Accurate Adsorption Energies: An …

  7. Recent Advances in Density Functional Theory (DFT) and

  8. DFT study of the adsorption properties and sensitivity of a B2N ...

  9. Determining the adsorption energies of small molecules with the ...

  10. Benchmarking water adsorption on metal surfaces with