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Journal of the Chilean Chemical Society(2)
International Journal of Quantum Chemistry(1)
Journal of Molecular Modeling(1)
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Química orgánica(3)
Química y ciencias afines(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:googlescopusA computational study of steviol and its suggested anticancer activity. A DFT and docking study
ArticleAbstract: In the present, study we analyzed the electronic properties of Steviol, the Stevia rebaudiana metaboPalabras claves:Acceptor-donor, Antiapoptotic, BCL-2, DFT, STEVIOLAutores:Belhassan A., Gerli L., Lorena Maribel Meneses-Olmedo, Mendoza-Huizar L.H., Muñoz P., Salgado G., Sebastian CuestaFuentes: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:scopusTHEORETICAL INVESTIGATION of the MOLECULAR STRUCTURE and MOLECULAR DOCKING of ETORICOXIB
ArticleAbstract: In this work, a computational chemical study of Etoricoxib was carried out at the X/6311G(d,p) (wherPalabras claves:activity, COX-2, DFT, docking, EtoricoxibAutores:Cardona Villada W., Gerli L., Lorena Maribel Meneses-Olmedo, Mendoza-Huizar L.H., Sadasivam K., Salgado Moran G., Sebastián Cuesta HoyosFuentes: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