Frank De Proft

53PUBLICATIONS
146CO-AUTHORS
Catalysis and mechanisms of reactionsTheoretical quantum chemistryChemical thermodynamics and energeticsOrganic chemical synthesisTransition metal chemistry
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Publications (53)

|Sep 28, 2026
Reactivity of ambident nucleophiles in magnetic fields: A combined conceptual DFT and current-DFT study.

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

|Jun 22, 2026
Beyond electronic stabilization: towards a multicomponent conceptual density-functional theory for positron-driven bonding.

|Apr 08, 2026
Revisiting the Maximum Hardness Principle: A Quantitative Analysis on Reaction Datasets.

Ashima Bajaj, Farnaz Heidar-Zadeh, Thijs Stuyver

|Feb 19, 2026
How to evaluate aromaticity under pressure? Benzene as a benchmark system.

Jochen Eeckhoudt, Alexander Dellwisch, Annelene Plump

|Feb 02, 2026
Selective Carbocation Functionalization by Catalytic Transchalcogenation Reactions.

Jesse Dallenes, Sergio Posada-Pérez, Jonas Wuyts

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Frequent Collaborators

19 joint publications

Paul Geerlings

13 joint publications

Mercedes Alonso

8 joint publications

Paul W Ayers

6 joint publications

Tom Bettens