Xavier Deraet

Publication Activity (10 Years)

Years Active: 2020-2023
Publications (10 Years): 5

Top Topics

Molecular Docking

Computed Tomography

Network Analysis

Top Venues

The Journal of organic chemistry

Physical chemistry chemical physics : PCCP

Chemistry (Weinheim an der Bergstrasse, Germany)

The journal of physical chemistry. A

This page only lists publications with an associated author ORCID identifier.

Publications

Xavier Deraet, Eline Desmedt, Ruben Van Lommel, Veronique Van Speybroeck, Frank de Proft
The electrophilic aromatic bromination of benzenes: mechanistic and regioselective insights from density functional theory. Physical chemistry chemical physics : PCCP (2023)
Xavier Deraet, Jan Turek, Mercedes Alonso, Frederik Tielens, Stefaan Cottenier, Paul W Ayers, Bert M Weckhuysen, Frank de Proft
Reactivity of Single Transition Metal Atoms on a Hydroxylated Amorphous Silica Surface: A Periodic Conceptual DFT Investigation. Chemistry (Weinheim an der Bergstrasse, Germany) 27 (19) (2021)
Xavier Deraet, Lauren Voets, Ruben Van Lommel, Guido Verniest, Frank De Proft, Wim Michel De Borggraeve, Mercedes Alonso
Stereoselective Reductions of 3-Substituted Cyclobutanones: A Comparison between Experiment and Theory. The Journal of organic chemistry 85 (12) (2020)
Tatiana Woller, Ambar Banerjee, Nitai Sylvetsky, Golokesh Santra, Xavier Deraet, Frank De Proft, Jan M L Martin, Mercedes Alonso
Performance of Electronic Structure Methods for the Description of Hückel-Möbius Interconversions in Extended π-Systems. The journal of physical chemistry. A 124 (12) (2020)
Jonas Verhoeven, Xavier Deraet, Vineet Pande, Weimei Sun, Mercedes Alonso, Frank De Proft, Lieven Meerpoel, Jan Willem Thuring, Guido Verniest
Synthesis and Reactivity of Spirocarbocycles as Scaffolds for Nucleoside Analogues. The Journal of organic chemistry 85 (23) (2020)