Browsing by Author "Echegaray Zipper, Eleonora Ana Luisa"
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- ItemIn pursuit of negative Fukui functions : examples where the highest occupied molecular orbital fails to dominate the chemical reactivity(2013) Echegaray Zipper, Eleonora Ana Luisa; Cárdenas, C.; Rabi, S.; Lee, S.; Zadeh, F.; Toro Labbé, Alejandro; Anderson, J.; Ayers, P.; Rabi, N.
- ItemIn pursuit of negative Fukui functions : molecules with very small band gaps(2014) Echegaray Zipper, Eleonora Ana Luisa; Rabi, S.; Cardenas, C.; Heidar Zadeh, Farnaz; Rabi, Nataly; Lee, Sungmin; Anderson, James S.M.; Toro Labbé, Alejandro; Ayers, Paul W.
- ItemInsights into the Mechanism of an S(N)2 Reaction from the Reaction Force and the Reaction Electronic Flux(2012) Giri, Santanab; Echegaray Zipper, Eleonora Ana Luisa; Ayers, Paul W.; Nuñez, Alvaro S.; Lund, Fernando; Toro Labbé, Alejandro
- ItemPointing the way to the products? Comparison of the stress tensor and the second-derivative tensor of the electron density(2011) Guevara García, Alfredo; Echegaray Zipper, Eleonora Ana Luisa; Toro Labbé, Alejandro; Jenkins, Samantha; Kirk, Steven Robert; Ayers, Paul W.
- ItemReaction Electronic Flux: A New Concept To Get Insights into Reaction Mechanisms. Study of Model Symmetric Nucleophilic Substitutions(2008) Echegaray Zipper, Eleonora Ana Luisa; Toro Labbé, Alejandro
- ItemThe mechanics of charge-shift bonds : A perspective from the electronic stress tensor(2011) Jenkins, Samantha; Kirk, Steven R.; Guevara García, Alfredo; Ayers, Paul W.; Echegaray Zipper, Eleonora Ana Luisa; Toro Labbé, Alejandro
- ItemThe reaction electronic flux in chemical reactions(2011) Cerón, María Luisa; Echegaray Zipper, Eleonora Ana Luisa; Gutiérrez Oliva, Soledad; Herrera Pisani, Bárbara Andrea; Toro Labbé, Alejandro