Mostrando 6 resultados de: 6
Filtros aplicados
Publisher
International Journal of Quantum Chemistry(1)
Journal of Biogeography(1)
Journal of Physical Chemistry C(1)
Journal of Physics Condensed Matter(1)
Revista Mexicana de Ingeniera Quimica(1)
Área temáticas
Química física(5)
Ingeniería y operaciones afines(2)
Diseño y decoración(1)
Funcionamiento de bibliotecas y archivos(1)
Física(1)
Área de conocimiento
Catálisis(2)
Química teórica(2)
Ciencia de materiales(1)
Mecánica cuántica(1)
Modelo matemático(1)
First-principles study of the nature of niobium sulfide catalyst for hydrodesulfurization in hydrotreating conditions
ArticleAbstract: For the metal-edge of pure NbS2 catalyst mixed with Mo and promoted with V, Fe, Co, and Ni, densityPalabras claves:Autores:Alba Beatriz Vidal, Cecilia A. Paredes, David Santiago Coll, Dick Zambrano Salinas, Eduardo V. Ludeña, Henriquez F., Jímenez D.M., Mauricio Heriberto Cornejo, Peter Darwin Iza Toapanta, Peter Iza, Yosslen R. ArayFuentes:googlescopusEditorial
OtherAbstract:Palabras claves:Autores:Administrador Revistas UTE, Adrián LLerena, Aguilar Gordón F.D.R., Alejandro Speck-Planche, Alfred Kron̈er, Alvaro Santiago Solano Gallegos, Ayestarán S., Benson A., Darío R. Páez, Darwin Ordoñez Iturralde, Davey K., David Ricardo Achig Balarezo, Davila A., Eduardo V. Ludeña, Elisa Bonaccorso, Eugenia Wickens, Eve Cerón Pérez, Floralba del Rocío Aguilar-Gordón, Freddy Portilla Farfán, Gisela Raymond Cornejo, Gustavo Moreno-Martín, Henry Pazmiño A, Hoorn C., Hugo Mauricio Ortega Andrade, Iankova K., Jaime Padilla Verdugo, Jaime Patricio Abad Vázquez, Javier González Díez, Jefferson Moreno Guaicha, Jimena Peñaherrera Wilches, José Luis Crespo-Fajardo, Juan Manuel Guayasamin, Klerkx J., Licinio J., Linder H., Marcos De Donato, María Sol Villagómes, Marian Wiercigroch, Matilde J. Flores Urbáez, Miriam Gallegos, Naranjo-Gil D., Nelson José Labarca Ferrer, Nicola Pontarollo, Nikola Petrovic, Orville-Thomas W.J., Palavitsinis N., Pedro Jimenez-Pacheco, Pedro Longart, Rafael Iturralde Solórzano, Richard J. Aspinall, Schandelmeier H., Smeyers Y.G., Stern R.J., Tilbury J., Viazzo P.P., Xavier Ochoa, Yachana , Yachana Revista Científica, Yntze van der Hoek, Zulbey Rivero de RodríguezFuentes:googlerraaescopusA general justification for hybrid functionals in DFT by means of linear response theory
ArticleAbstract: In the present work, resorting to linear response theory, we examine the plausibility of postulatingPalabras claves:DFT, Görling-Levy PT, hybrid functionals, Kohn-Sham PT, linear response, OEPAutores:Eduardo V. Ludeña, Fernando Javier Torres, Luis RinconFuentes:googlescopusThermodynamic stability of promoted niobium sulfide catalyst for hydrodesulfurization: A dft study
ArticleAbstract: Density functional theory calculations of single-layer models of niobium sulfide catalysts promotedPalabras claves:Canonical Potential, DFT, HDS, Niobium Sulfide Catalysts, Promotor effectAutores:Alba Beatriz Vidal, Alejandro Martiz, Darío E. Arroyo, Dick Zambrano Salinas, Eduardo V. Ludeña, Haci Baykara, Mauricio Heriberto Cornejo, Peter Darwin Iza Toapanta, Samantha SamaniegoFuentes:googlescopusStability of finite subspaces in density functional theory: Application to simple atoms
ArticleAbstract: We examine the validity of the first Hohenberg-Kohn theorem, namely, the one-to-one relationship betPalabras claves:finite basis set, first HK theorem, Hilbert space, subspacesAutores:Dick Zambrano Salinas, Eduardo V. Ludeña, Fernando Javier Torres, Luis Rincon, Peter Darwin Iza Toapanta, Peter Iza, Y. CarrilloFuentes:googlescopusNon-Born–Oppenheimer electron, nuclear and nuclear–electron second-order density matrices for exactly solvable four-particle model system
ArticleAbstract: Properties of the non-Born–Oppenheimer two-matrix are examined for four-particle systems of the CoulPalabras claves:density functional theory, Few body systems, Reduced density matrix, Two-matrixAutores:Dick Zambrano Salinas, Eduardo V. Ludeña, Mauricio Heriberto Cornejo, Peter Darwin Iza Toapanta, Peter IzaFuentes:googlescopus