Mostrando 4 resultados de: 4
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Publisher
Journal of Computational Methods in Sciences and Engineering(2)
Computational and Theoretical Chemistry(1)
International Journal of Quantum Chemistry(1)
Comparative theoretical study of Au<inf>1-3</inf> and Cu<inf>1-3</inf> clusters supported on SAPO-11 and their interactions with CO
ArticleAbstract: Quantum chemistry calculations were carried out using the ONIOM2 methodology at two different levelsPalabras claves:Au-aggregates, Cu-aggregates, ONIOM, Quantum chemistry, Theoretical calculationsAutores:Griffe B., Joaquin L. Brito, Sierraalta A.Fuentes:googlescopusTheoretical study of CO adsorption and oxidation on Au<inf>3-5</inf> clusters supported on silico-aluminophospates
ArticleAbstract: The Au3-5 clusters supported on silico-aluminophospates (SAPO-11) were studied using quantum chemistPalabras claves:Au-clusters, Au-nanoparticles, Au/SAPO, ONIOM, Quantum chemistry, Theoretical calculationsAutores:Griffe B., Joaquin L. Brito, Sierraalta A.Fuentes:googlescopusTheoretical study of small clusters Au<inf>5-6</inf> on Au/SAPO-11 catalysts and their interactions with CO
ArticleAbstract: Quantum chemistry calculations were done, using the ONIOM2 methodology at two different levels of caPalabras claves:Au-aggregates, ONIOM, Quantum chemistry, Theoretical calculationsAutores:Griffe B., Joaquin L. Brito, Sierraalta A.Fuentes:googlescopusTheoretical study of the CO catalytic oxidation on Au/SAPO-11 zeolite
Conference ObjectAbstract: Quantum chemistry calculations were carried out, using ONIOM2 methodology, to investigate the CO adsPalabras claves:AuASAPO, calculations, CO adsorption, ONIOM, Quantum chemistry, THEORETICALAutores:Griffe B., Joaquin L. Brito, Sierraalta A.Fuentes:googlescopus