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Journal of Molecular Catalysis A: Chemical(2)
Catalysis Letters(1)
Journal of Computational Methods in Sciences and Engineering(1)
SN Applied Sciences(1)
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Química física(3)
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'Vibrational frequencies of CO adsorbed on silica-supported Mo atoms from density functional calculations': A re-interpretation of results reported by N. López, F. Illas, G. Pacchioni
ReviewAbstract:Palabras claves:Autores:Griffe B., Joaquin L. BritoFuentes:googlescopusSelective catalytic reduction of nitrogen oxide by ammonia over Cu/SAPO-11: a theoretical study
ArticleAbstract: Quantum chemistry calculations were carried out using the ONIOM2 methodology at two different levelsPalabras claves:Computational catalysis, Cu-clusters, Cu/SAPO, NH -SCR 3, ONIOM, Theoretical calculationsAutores:Griffe B., Joaquin L. Brito, Sierraalta A.Fuentes:googlescopusProbing silica-supported Mo<sup>2+</sup> by means of FT-IR of adsorbed CO
ArticleAbstract: Well defined Mo2+ surface sites of silica-supported catalyst, produced by H2 reduction of the fixedPalabras claves:CO adsorption, IR spectroscopy, Mo-allyl precursor, Mo/SiO catalysts 2Autores:Griffe B., Joaquin L. BritoFuentes:googlescopusTheoretical study of Au/SAPO-11 catalyst and its potential use in thiophene HDS
ArticleAbstract: Quantum chemistry calculations were carried out, using ONIOM2 methodology, in order to investigate tPalabras claves:Au/SAPO-11, Computational catalysis, ONIOM, Theoretical calculations, Thiophene HDSAutores: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:googlescopus