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Computational study of vicarious nucleophilic substitution reactions
ArticleAbstract: Vicarious nucleophilic substitution reactions are a versatile way of introducing substituents into aPalabras claves:DFT, Electrophilic, Nitroarene, Nucleophilic substitution, reaction mechanism, VicariousAutores:Alejandra Castellanos, Lorena Maribel Meneses-Olmedo, Lorena Meneses, Sebastian Cuesta, Shirley MorochoFuentes:googlescopusOn the reaction mechanism of the 3,4-dimethoxybenzaldehyde formation from 1-(3',4'-Dimethoxyphenyl)Propene
ArticleAbstract: Lignin peroxidase (LiP) is an important enzyme for degrading aromatic hydrocarbons not only in naturPalabras claves:1-(3'4'-dimethoxyphenyl) propene, 3,4-dimethoxybenzaldehyde, DFT, Force constant, Lignin peroxidase, Reaction force, reaction mechanismAutores:Alzate-Morales J., Felipe E. Gallegos, Josefa Arias, Lorena Maribel Meneses-Olmedo, Sebastian CuestaFuentes:scopusUnveiling the structure-reactivity relationship involved in the reaction mechanism of the HCl-catalyzed alkyl t-butyl ethers thermal decomposition. A computational study
ArticleAbstract: The gas-phase thermal decomposition of a series of alkyl t-butyl ethers catalyzed by hydrogen chloriPalabras claves:ethers decomposition, hydrogen chloride, reaction mechanism, structure-reactivity relationshipAutores:César H. Zambrano, Fernando Javier Torres, Flores-Morales V., Jose R. Mora, Lorena Maribel Meneses-Olmedo, Luis Rincon, Marquez E.A., Sebastian CuestaFuentes:scopus