Eline Desmedt

6PUBLICATIONS
12CO-AUTHORS
Theoretical quantum chemistryMolecular and organic electronicsNonlinear optics and spectroscopyBiomolecular modelling and design
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Publications (6)

|Aug 28, 2026
The catalysed electrophilic aromatic bromination of benzenes: insights from density functional theory and biased molecular dynamics simulations.

|Nov 12, 2024
Deciphering nonlinear optical properties in functionalized hexaphyrins via explainable machine learning.

Eline Desmedt, Michiel Jacobs, Mercedes Alonso

|Jun 18, 2024
Aromaticity in the Spectroscopic Spotlight of Hexaphyrins.

Eline Desmedt, Irene Casademont-Reig, Roger Monreal-Corona

|Nov 14, 2023
Application of Inverse Design Approaches to the Discovery of Nonlinear Optical Switches.

Eline Desmedt, Léa Serrano Gimenez, Freija De Vleeschouwer

|Sep 13, 2023
The electrophilic aromatic bromination of benzenes: mechanistic and regioselective insights from density functional theory.

Xavier Deraet, Eline Desmedt, Ruben Van Lommel

|May 10, 2023
Designing hexaphyrins for high-potential NLO switches: the synergy of core-modifications and meso-substitutions.

Eline Desmedt, David Smets, Tatiana Woller

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Frequent Collaborators

4 joint publications

Mercedes Alonso

4 joint publications

Freija De Vleeschouwer

2 joint publications

Xavier Deraet

2 joint publications

Veronique Van Speybroeck