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Revista de la Sociedad Química del Perú
Print version ISSN 1810-634X
Abstract
MONTES, Nancy and HORMAZA, Angelina. Comparison of the local indexes of reactivity Fukui of a series of aldehides. Rev. Soc. Quím. Perú [online]. 2008, vol.74, n.4, pp.247-251. ISSN 1810-634X.
The study of the local indexes of reactivity Fukui on indol-3-carboxaldehyde, benzaldehyde and formaldehyde was carried out with the computational package Gaussian98 at B3LYP/6-31g(d) level of theory by the (DFT). The results demonstrated that the site more nucleophilic and electrophilic of indol-3-carboxaldehído differs with relation to the aldehydes previously mentioned.
Keywords : Indole-3-carboxaldehyde; local indexes of reactividad Fukui; DFTtheory.