Eleonora Echegaray

Pontificia Universidad Católica de Chile — Chile

Physics and Astronomy · Physical Sciences

10h-index489citations11works0.02yr avg
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Research Topics

Advanced Chemical Physics Studies(7), Molecular Junctions and Nanostructures(3), Machine Learning in Materials Science(3), Free Radicals and Antioxidants(3), Ionic liquids properties and applications(2)

Publications11 total

Negative Condensed-to-Atom Fukui Functions: A Signature of Oxidation-Induced Reduction of Functional Groups
2017· 9 cited
In pursuit of negative Fukui functions: molecules with very small band gaps
Journal of Molecular Modeling·2014· 25 citedOpen Access
In pursuit of negative Fukui functions: examples where the highest occupied molecular orbital fails to dominate the chemical reactivity
Journal of Molecular Modeling·2012· 50 citedOpen Access
Insights into the Mechanism of an S<sub>N</sub>2 Reaction from the Reaction Force and the Reaction Electronic Flux
The Journal of Physical Chemistry A·2012· 54 citedOpen Access
Understanding chemical binding using the Berlin function and the reaction force
Chemical Physics Letters·2012· 13 citedOpen Access
The reaction electronic flux in chemical reactions
Science China Chemistry·2011· 64 citedOpen Access
Pointing the way to the products? Comparison of the stress tensor and the second-derivative tensor of the electron density
The Journal of Chemical Physics·2011· 60 citedOpen Access
The mechanics of charge-shift bonds: A perspective from the electronic stress tensor
Chemical Physics Letters·2011· 31 citedOpen Access
Electronic Stress as a Guiding Force for Chemical Bonding
Topics in current chemistry·2011· 21 citedOpen Access
Relationships between the third-order reactivity indicators in chemical density-functional theory
The Journal of Chemical Physics·2009· 45 cited
Reaction Electronic Flux: A New Concept To Get Insights into Reaction Mechanisms. Study of Model Symmetric Nucleophilic Substitutions
The Journal of Physical Chemistry A·2008· 117 citedOpen Access

Frequent Co-authors

Alejandro Toro‐Labbé(10), Paul W. Ayers(9), Carlos Cárdenas(5), James S. M. Anderson(4), Alfredo Guevara‐García(3), Samantha Jenkins(3), Steven R. Kirk(3), Sandra Rabi(3), Nataly Rabi(3), Farnaz Heidar‐Zadeh(3), Sungmin Lee(2), Debajit Chakraborty(2), María L. Cerón Loayza(1), Soledad Gutiérrez‐Oliva(1), Bárbara Herrera(1), Santanab Giri(1), Álvaro S. Núñez(1), Fernando Lund(1), K. Dikmenli(1), Robert G. Parr(1)