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DFT screening of adsorption of biodiesel molecules on aluminum …
Adsorption and diffusion of oxygen on metal surfaces studied …
Metal Oxide Surfaces and Their Interactions with Aqueous …
Hydrodeoxygenation of butyric acid at multi-functional Nb2O5 …
Including dispersion in density functional theory for adsorption …
DFT-Based Method for More Accurate Adsorption Energies: An …
Recent Advances in Density Functional Theory (DFT) and
DFT study of the adsorption properties and sensitivity of a B2N ...
Determining the adsorption energies of small molecules with the ...
Benchmarking water adsorption on metal surfaces with