Xavier Deraet

7PUBLICATIONS
18CO-AUTHORS
Theoretical quantum chemistryMetal cluster chemistryMain group metal chemistryOrganic chemical synthesisRadiation and matter
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Publications (7)

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

|Oct 22, 2024
Structural and energetic properties of cluster models of anatase-supported single late transition metal atoms: a density functional theory benchmark study.

Xavier Deraet, Umut Çilesiz, Viktorya Aviyente

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

Xavier Deraet, Eline Desmedt, Ruben Van Lommel

|Dec 28, 2020
Reactivity of Single Transition Metal Atoms on a Hydroxylated Amorphous Silica Surface: A Periodic Conceptual DFT Investigation.

Xavier Deraet, Jan Turek, Mercedes Alonso

|Nov 16, 2020
Synthesis and Reactivity of Spirocarbocycles as Scaffolds for Nucleoside Analogues.

Jonas Verhoeven, Xavier Deraet, Vineet Pande

|May 23, 2020
Stereoselective Reductions of 3-Substituted Cyclobutanones: A Comparison between Experiment and Theory.

Xavier Deraet, Lauren Voets, Ruben Van Lommel

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Frequent Collaborators

4 joint publications

Mercedes Alonso

4 joint publications

Frank De Proft

2 joint publications

Veronique Van Speybroeck

2 joint publications

Eline Desmedt