Documentos de Vega D. | REDI

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Filtros aplicados

Palabras Claves: "Hydrodesulfurization"

Subtipo de publicación

Publisher

Journal of Computational Methods in Sciences and Engineering(2)

Área temáticas

Química física(2)

Química inorgánica(2)

Ingeniería y operaciones afines(1)

Química orgánica(1)

Área de conocimiento

Ciencia de materiales(2)

Nanostructura(1)

Año de Publicación

Origen

Palabras Claves

density functional theory(2)

Atoms in molecules(1)

Atoms in molecules theory(1)

Electrostatic potential(1)

First-principles atomic thermodynamic(1)

Atoms in Molecules Theory for exploring the crystal structure and bond nature of the MoS<inf>2</inf> bulk

Abstract: MoS2 bulk packing was studied using the Atoms in Molecules Theory. The network of bond paths describ

Palabras claves:

Atoms in molecules theory, density functional theory, Hydrodesulfurization, Molybdenum sulfide

Alba Beatriz Vidal, David Santiago Coll, 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