Documentos de Vega D. | REDI

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Filtros aplicados

Área temáticas: "Ingeniería y operaciones afines"

Subtipo de publicación

Publisher

Journal of Computational Methods in Sciences and Engineering(1)

Journal of Physical Chemistry C(1)

Área temáticas

Química física(2)

Química inorgánica(2)

Área de conocimiento

Ciencia de materiales(2)

Nanostructura(1)

Año de Publicación

Origen

Palabras Claves

Atoms in molecules(1)

Electrostatic potential(1)

First-principles atomic thermodynamic(1)

Hydrodesulfurization(1)

Nickel sulfide particles(1)

First principles study of low miller index RuS<inf>2</inf> surfaces in hydrotreating conditions

Abstract: Density functional theory (DFT) calculations combined with surface thermodynamic arguments and the G

Palabras claves:

Alba Beatriz Vidal, David Santiago Coll, Grillo M.E., Rodríguez J.A., Vega D., Yosslen R. Aray

First-principles study of the nature of small nickel sulfide particles

Abstract: The nature of small nickel sulfide clusters was explored using the atoms in molecules theory and a b

Palabras claves:

Atoms in molecules, density functional theory, Electrostatic potential, First-principles atomic thermodynamic, Hydrodesulfurization, Nickel sulfide particles

Alba Beatriz Vidal, David Santiago Coll, Rodríguez J.A., Vega D., Yosslen R. Aray