Frank De Proft

52PUBLICATIONS
146CO-AUTHORS
Theoretical quantum chemistryChemical thermodynamics and energeticsOrganic chemical synthesisTransition metal chemistryMetal cluster chemistry
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (52)

|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

|Jan 21, 2026
Interplay between diradical character, aromaticity and conductance in oligothiophenes.

Louis Van Nyvel, Irene Casademont-Reig, Jochen Eeckhoudt

Pageof 9

Frequent Collaborators

18 joint publications

Paul Geerlings

13 joint publications

Mercedes Alonso

8 joint publications

Paul W Ayers

6 joint publications

Tom Bettens