Browsing by Author "3d7a84f3-1bb3-4b1b-bc93-6460cf7e7d4b"
Now showing items 21-24 of 24
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Mendizábal Emaldía, Fernando; Contreras Ramos, Renato; Aizman, Arie (1995)The representation of the electronic structure of intercalated 1T - TiS2 with lithium by a cluster approximation is discussed. The electronic chemical potential, defined in the context of density functional theory, is used ...
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Aizman, Arie; Contreras Ramos, Renato; Galván, M.; Cedillo, Andrés; Santos, J. C.; Chamorro, E. (2002)The electrophilic addition of HCl to a series of asymmetric alkenes-propene, 2-methyl-2-butene, styrene, 2-phenylpropene, and 1-cyanopropene-is used as a model system to study the regioselectivity Markovnikov rule using ...
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Padilla Campos, Luis; Contreras Ramos, Renato; Aizman, Arie (1989)The influence of electrostatic solvent effects on the barrier for the internal return rearrangement in the allyl–fluoride model system has been analyzed. The solvent was modeled through the self‐consistent reaction field ...
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Contreras Ramos, Renato; Andrés, Juan; Pérez, Patricia; Aizman, Arie; Tapia, Orlando (Springer New York, 1998)Activation is a fundamental and well-known concept in chemistry. It may be qualitatively defined as an increase in the chemical reactivity pattern of a molecule at a given site k when the system is locally perturbed at a ...