Eleonora Echegaray

Reaction Electronic Flux: A New Concept To Get Insights into Reaction Mechanisms. Study of Model Symmetric Nucleophilic Substitutions

Eleonora Echegaray, Alejandro Toro‐Labbé · The Journal of Physical Chemistry A · 2008 · 117 citations · Full text

Engineering, Proton-coupled Electron Transfer, Chlorine Substitution +20

The reaction electronic flux in chemical reactions

María L. Cerón Loayza, Eleonora Echegaray, Soledad Gutiérrez‐Oliva et al. · Science China Chemistry · 2011 · 64 citations · Full text

Pointing the way to the products? Comparison of the stress tensor and the second-derivative tensor of the electron density

Alfredo Guevara‐García, Eleonora Echegaray, Alejandro Toro‐Labbé et al. · The Journal of Chemical Physics · 2011 · 60 citations · Full text

Engineering, Computational Chemistry, Chemistry +16

Insights into the Mechanism of an S_N2 Reaction from the Reaction Force and the Reaction Electronic Flux

Santanab Giri, Eleonora Echegaray, Paul W. Ayers et al. · The Journal of Physical Chemistry A · 2012 · 54 citations · Full text

Transition States, Reaction Electronic Flux, Engineering +15

In pursuit of negative Fukui functions: examples where the highest occupied molecular orbital fails to dominate the chemical reactivity

Eleonora Echegaray, Carlos Cárdenas, Sandra Rabi et al. · Journal of Molecular Modeling · 2012 · 50 citations · Full text

Physics, Natural Sciences, Chemical Bond +7