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Chemical Physics Letters(3)
International Journal of Quantum Chemistry(2)
Computational and Theoretical Chemistry(1)
Journal of Molecular Modeling(1)
PUCE(1)
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Química orgánica(5)
Química analítica(3)
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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:googlescopusEstudio químico y computacional del acetaminofén
Bachelor ThesisAbstract: Se presenta un estudio teórico y experimental de la reacción de síntesis del acetaminofén, mediantePalabras claves:Acetaminofen, ANALGESICO, ANTIPIRÉTICO, AUTODOCK VINA, CICLOOXIGENASA, ESPECTROSCOPÍA, Farmacocinetica, GaussianAutores:Lorena Maribel Meneses-Olmedo, Shirley Fernanda Morocho PangulFuentes:rraaeOn the variations of electronic chemical potential and chemical hardness induced by solvent effects
ArticleAbstract: The effects that a polarizable medium exerts on the electronic chemical potential and the chemical hPalabras claves:Autores:Contreras R., Fuentealba P., Lorena Maribel Meneses-Olmedo, Lorena MenesesFuentes:googlescopusInsights on the mechanism, reactivity and selectivity of fructose and tagatose dehydration into 5-hydroxymethylfurfural: A DFT study
ArticleAbstract: In this study, a computational DFT study was performed to propose a new acid catalyzed mechanism toPalabras claves:BIOMASS, Force quantum descriptor, fructose, Tagatose, TautomerizationAutores:Cardona Villada W., Gerli L., Lorena Maribel Meneses-Olmedo, Mendoza-Huizar L.H., Salgado Moran G., Sebastián Cuesta HoyosFuentes:scopusLocal hardness: An application to electrophilic additions
ArticleAbstract: The electrophilic addition of hydrogen chloride in substituted ethylenes has been revised by using tPalabras claves:Autores:Araya A., Contreras R., Fernanda Pilaquinga F．, Fuentealba P., Lorena Maribel Meneses-Olmedo, Lorena MenesesFuentes:googlescopusUnveiling 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:scopusRelationship between the electrophilicity and σ<inf>p</inf> Hammett constant in Baeyer-Villiger reactions
ArticleAbstract: The Baeyer-Villiger oxidation of some aldehydes and ketones has been revised by using the electrophiPalabras claves:Autores:Araya A., Fernanda Pilaquinga F．, Fuentealba P., Lorena Maribel Meneses-OlmedoFuentes:scopusRelationship between the electrophilicity of substituting agents and substrate selectivity in Friedel-Crafts reactions
ArticleAbstract: The global electrophilicity index evaluated at the ground state of benzylating and acylating agentsPalabras claves:Electrophilic activation/deactivation in Friedel-Crafts reactions, Electrophilicity and substrate selectivity, Electrophilicity indexAutores:Contreras R., Fuentealba P., Lorena Maribel Meneses-OlmedoFuentes:scopusTheoretical studies of reactivity and selectivity in some organic reactions
Conference ObjectAbstract: Some organic reactions with biological or commercial interest have been studied by using reactivityPalabras claves:DFT, Reactivity, SelectivityAutores:Araya A., Carrillo P., Espín M., Fernanda Pilaquinga F．, Lorena Maribel Meneses-Olmedo, Lorena Meneses, Sánchez F.Fuentes:googlescopus