Paul Geerlings

19PUBLICATIONS
93CO-AUTHORS
Transition metal chemistryStatistical mechanics in chemistryEnergy generation, conversion and storage (excl. chemical and electrical)Theoretical quantum chemistryRadiation and matter
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Publications (19)

|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

|Aug 27, 2024
Bond Lengths and Dipole Moments of Diatomic Molecules under Isotropic Pressure with the XP-PCM and GOSTSHYP Models.

Jochen Eeckhoudt, Mercedes Alonso, Paul Geerlings

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Frequent Collaborators

18 joint publications

Frank De Proft

5 joint publications

Paul W Ayers

5 joint publications

Mercedes Alonso

4 joint publications

Tom Bettens