Researcher
Tom Bettens
- Keywords:Chemistry (incl. biochemistry)
Affiliations
- Chemistry (Department)
Member
From1 Oct 2021 → 31 Jan 2022 - Chemistry (Department)
Member
From1 Oct 2021 → 31 Jan 2022 - Chemistry (Department)
Member
From8 Apr 2019 → 30 Sep 2021 - Chemistry (Department)
Member
From1 Oct 2017 → 31 Jan 2022 - Faculty of Sciences and Bioengineering Sciences (Faculty)
Member
From24 Sep 2017 → 13 Dec 2021 - General Chemistry (Research group)
Member
From3 Sep 2015 → 1 Nov 2022 - Faculty of Sciences and Bioengineering Sciences (Faculty)
Member
From3 Sep 2015 → 14 Sep 2017
Publications
1 - 9 of 9
- A Quantum Chemical Deep-Dive into the π-π Interactions of 3-Methylindole and Its Halogenated Derivatives—Towards an Improved Ligand Design and Tryptophan Stacking(2022)
Authors: Ruben Van Lommel, Tom Bettens, Thomas Barlow, Jolien Bertouille, Steven Ballet, Frank De Proft
- Conceptual density functional theory under pressure(2022)
Authors: Jochen Eeckhoudt, Mercedes Alonso Giner, Frank De Proft, Paul Geerlings, Tom Bettens, Bo Chen, Roberto Cammi
Pages: 9329-9350 - Towards the understanding of halogenation in peptide hydrogels: a quantum chemical approach(2021)
Authors: Tom Bettens, Valentin Lacanau, Ruben Van Lommel, De Maeseneer Tess, Wouter René Vandeplassche, Jolien Bertouille, Joost Brancart, Thomas Barlow, Tatiana Marianne Woller, Niko Van den Brande, et al.
Pages: 4792-4803 - Designing Force Probes Based on Reversible 6π-Electrocyclizations in Polyenes Using Quantum Chemical Calculations(2021)
Authors: Tom Bettens, Jochen Eeckhoudt, Marvin Hoffmann, Mercedes Alonso Giner, Paul Geerlings, Andreas Dreuw, Frank De Proft
Pages: 7477-7489 - Mechanochemically Triggered Topology Changes in Expanded Porphyrins(2021)
Authors: Tom Bettens, Marvin Hoffmann, Mercedes Alonso Giner, Paul Geerlings, Andreas Dreuw, Frank De Proft
Pages: 3397-3406 - Quantum chemical modeling of mechanochemical reactivity(2021)
Authors: Tom Bettens, Frank De Proft, Mercedes Alonso Giner, Paul Geerlings
Number of pages: 286 - Ambident Nucleophilic Substitution: Understanding Non‐HSAB Behavior through Activation Strain and Conceptual DFT Analyses(2020)
Authors: Tom Bettens, Mercedes Alonso Giner, Frank De Proft, Trevor A. Hamlin, F. Matthias Bickelhaupt
Pages: 3884–3893 - The hunt for reactive alkynes in bio-orthogonal click reactions: insights from mechanochemical and conceptual DFT calculations(2020)
Authors: Tom Bettens, Mercedes Alonso Giner, Frank De Proft, Paul Geerlings
Pages: 1431-1439 - Implementing the mechanical force into the conceptual DFT framework: understanding and predicting molecular mechanochemical properties(2019)
Authors: Tom Bettens, Mercedes Alonso Giner, Paul Geerlings, Frank De Proft
Pages: 7378-7388