Tom Bettens

6PUBLICATIONS
12CO-AUTHORS
Catalysis and mechanisms of reactionsChemical thermodynamics and energeticsRadiation and matterSupramolecular chemistryMain group metal chemistry
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Publications (6)

|Dec 12, 2023
Wandering through quantum-mechanochemistry: from concepts to reactivity and switches.

Mercedes Alonso, Tom Bettens, Jochen Eeckhoudt

|Sep 12, 2022
Conceptual density functional theory under pressure: Part I. XP-PCM method applied to atoms.

J Eeckhoudt, T Bettens, P Geerlings

|Jun 14, 2021
The hunt for reactive alkynes in bio-orthogonal click reactions: insights from mechanochemical and conceptual DFT calculations.

Tom Bettens, Mercedes Alonso, Paul Geerlings

|Nov 10, 2020
Mechanochemically Triggered Topology Changes in Expanded Porphyrins.

Tom Bettens, Marvin Hoffmann, Mercedes Alonso

|Jun 10, 2020
Alkaline Earth Metals Activate N2 and CO in Cubic Complexes Just Like Transition Metals: A Conceptual Density Functional Theory and Energy Decomposition Analysis Study.

Tom Bettens, Sudip Pan, Frank De Proft

|Jan 21, 2020
Ambident Nucleophilic Substitution: Understanding Non-HSAB Behavior through Activation Strain and Conceptual DFT Analyses.

Tom Bettens, Mercedes Alonso, Frank De Proft

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Frequent Collaborators

6 joint publications

Frank De Proft

5 joint publications

Mercedes Alonso

4 joint publications

Paul Geerlings

2 joint publications

Jochen Eeckhoudt