Paul Geerlings

20PUBLICATIONS
93CO-AUTHORS
Catalysis and mechanisms of reactionsTransition metal chemistryStatistical mechanics in chemistryEnergy generation, conversion and storage (excl. chemical and electrical)Theoretical quantum chemistry
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (20)

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

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

Louis Van Nyvel, Irene Casademont-Reig, Jochen Eeckhoudt

|Aug 22, 2025
A statistical theory of reactivity based on molecular orbitals participation and its application to organic reactions.

Javier Oller, Paul Geerlings, Frank De Proft

|Feb 04, 2025
Exploring Intrinsic Bond Properties with the Fukui Matrix from Conceptual Density Matrix Functional Theory.

Bin Wang, Paul Geerlings, Farnaz Heidar-Zadeh

|Nov 21, 2024
Temperature and external fields in conceptual density functional theory.

Marco Franco-Pérez, Farnaz Heidar-Zadeh, Paul W Ayers

|Nov 04, 2024
Slope of the Delocalization Function Is Proportional to Analytical Hardness.

Bin Wang, Paul Geerlings, Farnaz Heidar-Zadeh

Pageof 4

Frequent Collaborators

19 joint publications

Frank De Proft

5 joint publications

Paul W Ayers

5 joint publications

Mercedes Alonso

4 joint publications

Tom Bettens