Añez, Rafael

PRODUCCION CIENTÍFICO TECNOLÓGICA

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Artículo DFT+U study of the electronic structure changes of WO3 monoclinic and hexagonal surfaces upon Cu, Ag, and Au adsorption. Applications for CO adsorption

Hurtado Aular, Oscar Enrique ; Añez, Rafael; Sierraalta, Aníbal (Elsevier Science, 2021-12)
Artículo DFT-ONIOM study of ammonia activation by MM'APO-5 (M,M' = Ti, Zr, Co) bimetallic molecular sieves. The influence of the neighboring metal from a theoretical point of view

Sierraalta, Anibal; Añez, Rafael; Coll, David S.; Hurtado Aular, Oscar Enrique (Elsevier, 2024-02-21)
Artículo Theoretical insight into the rearrangement of sulfur atoms on the Ni- and Cu-doped MoS 2 S-edge induced by hydrogen adsorption under HDS reaction conditions

Vidal, Alba B.; Hurtado Aular, Oscar Enrique ; Peña Mena, José Luis; Añez, Rafael; Sierraalta, Aníbal (Royal Society of Chemistry, 2024-03)
Artículo Unraveling the Structure and Surface Chemistry of the Phosphosulfide Phase Formed on Ni2P under Hydrodesulfurization Reaction Conditions: A DFT Study

Vidal Sandrea, Alba Beatriz; Peña Mena, José Luis; Hurtado Aular, Oscar Enrique ; Añez, Rafael; Sierraalta, Aníbal (American Chemical Society, 2022-08)

Mostrando ítems 1-4 de 4