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Activation energy calculation for the retro-ene elimination reaction of propylene from diallyl ether
ArticleAbstract: The activation energy for the retro-ene elimination of propylene from diallyl ether was calculated aPalabras claves:Ab initio, Diallyl ether, Retro-ene reaction, Topology of the electronic charge density, Transition stateAutores:Alba Beatriz Vidal, Añez R., Fermín J.R., Izquierdo R., Rodríguez L.Fuentes:scopusSemiempirical study of electronic and bonding properties of iron silicide clusters
ArticleAbstract: Molecular orbital calculations of iron, silicon, and iron silicide clusters have been carried out usPalabras claves:Bonding properties, clusters, density of states, Iron silicide, MINDO/SRAutores:Castro G.R., Eduardo V. Ludeña, Hernandez A.J., Rodríguez L., Ruette F.Fuentes:scopus