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

  2. Metal Oxide Surfaces and Their Interactions with Aqueous …

  3. Including dispersion in density functional theory for adsorption

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

  5. Adsorption on perfect and reduced surfaces of metal oxides

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

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