Isabel Lage‐Estebanez

Predictions of Physicochemical Properties of Ionic Liquids with DFT

Karl Karu, Anton Ruzanov, Heigo Ers et al. · Computation · 2016 · 54 citations · Full text

Materials Science, Solid-state Ionic, Chemical Engineering +14

Density Functional Theory Study of Ionic Liquid Adsorption on Circumcoronene Shaped Graphene

Anton Ruzanov, Meeri Lembinen, Heigo Ers et al. · The Journal of Physical Chemistry C · 2018 · 35 citations

Circumcoronene Shaped Graphene, Engineering, Electrode-electrolyte Interface +17

Understanding the Structure and Properties of Cholinium Amino Acid Based Ionic Liquids

Lourdes del Olmo, Isabel Lage‐Estebanez, R. López et al. · The Journal of Physical Chemistry B · 2016 · 33 citations

Engineering, Chemistry, Simple Liquid +18

Self-interaction error in DFT-based modelling of ionic liquids

Isabel Lage‐Estebanez, Anton Ruzanov, José M. Garcı́a de la Vega et al. · Physical Chemistry Chemical Physics · 2015 · 21 citations · Full text

Solid-state Ionic, Engineering, Physics +13

The role of errors related to DFT methods in calculations involving ion pairs of ionic liquids

Isabel Lage‐Estebanez, Lourdes del Olmo, R. López et al. · Journal of Computational Chemistry · 2017 · 21 citations

Dft Methods, Engineering, Computational Chemistry +17