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A Theoretical Study of the C–X Bond Cleavage Mediated by Cob(II)Aloxime
ArticleAbstract: The C–X bond cleavage in different methyl halides (CH3X; X = Cl, Br, I) mediated by 5,6-dimethylbenzPalabras claves:Atoms in molecules, carbon–halogen cleavage, cobaloxime, Reaction force, source functionAutores:Alí-Torres J., César H. Zambrano, Fernando Javier Torres, Luis E. Seijas, Luis Rincon, Vladimir RodríguezFuentes:googlescopusDehydrochlorination of PCDDs on SWCN-Supported Ni<inf>10</inf> and Ni<inf>13</inf> Clusters, a DFT Study
ArticleAbstract: Polychlorinated dibenzo-p-dioxins (PCDDs) are known to be a group of compounds of high toxicity forPalabras claves:clusters, dehydrochlorination, DFT, dibenzo-p-dioxins, nanotubes, nickelAutores:Arianna Jimbo, César H. Zambrano, Martha Porras, Silvia González PérezFuentes:scopusTheoretical description of R–X· · · NH<inf>3</inf> halogen bond complexes: Effect of the R group on the complex stability and sigma-hole electron depletion
ArticleAbstract: In the present work, a number of R–X· · · NH3 (X = Cl, Br, and I) halogen bonded systems were theorePalabras claves:Conditional pair density, Fermi-hole, Halogen bond, Kullback–Leibler divergence, Sigma-holeAutores:César H. Zambrano, Fernando Javier Torres, Jose R. Mora, Juan Zurita, Luis Rincon, Vladimir RodríguezFuentes:scopus