| Electrophilicity and nucleophilicity index for radicals F De Vleeschouwer, V Van Speybroeck, M Waroquier, P Geerlings, ... Organic letters 9 (14), 2721-2724, 2007 | 515 | 2007 |
| First principles based group additive values for the gas phase standard entropy and heat capacity of hydrocarbons and hydrocarbon radicals MK Sabbe, F De Vleeschouwer, MF Reyniers, M Waroquier, GB Marin The Journal of Physical Chemistry A 112 (47), 12235-12251, 2008 | 118 | 2008 |
| Characterization of chalcogen bonding interactions via an in‐depth conceptual quantum chemical analysis F De Vleeschouwer, M Denayer, B Pinter, P Geerlings, F De Proft Journal of Computational Chemistry 39 (10), 557-572, 2018 | 69 | 2018 |
| An intrinsic radical stability scale from the perspective of bond dissociation enthalpies: a companion to radical electrophilicities FD Vleeschouwer, VV Speybroeck, M Waroquier, P Geerlings, FD Proft The Journal of Organic Chemistry 73 (22), 9109-9120, 2008 | 61 | 2008 |
| Heterolytic splitting of molecular hydrogen by frustrated and classical Lewis pairs: a unified reactivity concept G Skara, F De Vleeschouwer, P Geerlings, F De Proft, B Pinter Scientific Reports 7 (1), 16024, 2017 | 57 | 2017 |
| Tuning the HOMO–LUMO energy gap of small diamondoids using inverse molecular design JL Teunissen, F De Proft, F De Vleeschouwer Journal of chemical theory and computation 13 (3), 1351-1365, 2017 | 55 | 2017 |
| Metal‐Free Cyclization of ortho‐Nitroaryl Ynamides and Ynamines towards Spiropseudoindoxyls N Marien, BN Reddy, F De Vleeschouwer, S Goderis, K Van Hecke, ... Angewandte Chemie 130 (20), 5762-5766, 2018 | 40 | 2018 |
| Conceptual quantum chemical analysis of bonding and noncovalent interactions in the formation of frustrated Lewis pairs G Skara, B Pinter, J Top, P Geerlings, F De Proft, F De Vleeschouwer Chemistry–A European Journal 21 (14), 5510-5519, 2015 | 39 | 2015 |
| Cyclopolymerization reactions of diallyl monomers: exploring electronic and steric effects using DFT reactivity indices I Ugur, F De Vleeschouwer, N Tuzun, V Aviyente, P Geerlings, S Liu, ... The Journal of Physical Chemistry A 113 (30), 8704-8711, 2009 | 34 | 2009 |
| How the conical intersection seam controls chemical selectivity in the photocycloaddition of ethylene and benzene JJ Serrano-Pérez, F De Vleeschouwer, F De Proft, D Mendive-Tapia, ... The Journal of Organic Chemistry 78 (5), 1874-1886, 2013 | 33 | 2013 |
| Inverse design of molecules with optimal reactivity properties: acidity of 2-naphthol derivatives F De Vleeschouwer, W Yang, DN Beratan, P Geerlings, F De Proft Physical Chemistry Chemical Physics 14 (46), 16002-16013, 2012 | 30 | 2012 |
| Pushing the boundaries of intrinsically stable radicals: Inverse design using the thiadiazinyl radical as a template F De Vleeschouwer, A Chankisjijev, W Yang, P Geerlings, F De Proft The Journal of organic chemistry 78 (7), 3151-3158, 2013 | 28 | 2013 |
| Regioselectivity of radical additions to substituted alkenes: Insight from conceptual density functional theory F De Vleeschouwer, P Jaque, P Geerlings, A Toro-Labbé, F De Proft The Journal of Organic Chemistry 75 (15), 4964-4974, 2010 | 27 | 2010 |
| Exploiting the σ‐Hole Concept: An Infrared and Raman‐Based Characterization of the S⋅⋅⋅ O Chalcogen Bond between 2, 2, 4, 4‐Tetrafluoro‐1, 3‐dithiethane and Dimethyl Ether Y Geboes, F De Vleeschouwer, F De Proft, WA Herrebout Chemistry–A European Journal 23 (68), 17384-17392, 2017 | 26 | 2017 |
| Radical electrophilicities in solvent F De Vleeschouwer, P Geerlings, FD Proft Theoretical Chemistry in Belgium: A Topical Collection from Theoretical …, 2014 | 23 | 2014 |
| The halogen bond in weakly bonded complexes and the consequences for aromaticity and spin-orbit coupling AV Cunha, RWA Havenith, J van Gog, F De Vleeschouwer, F De Proft, ... Molecules 28 (2), 772, 2023 | 16 | 2023 |
| Heteroaryl sulfonamide synthesis: scope and limitations RO Iakovenko, D Chrenko, J Kristek, E Desmedt, F Zálešák, ... Organic & Biomolecular Chemistry 20 (15), 3154-3159, 2022 | 16 | 2022 |
| Hydrogen-Bond-assisted Diels–Alder kinetics or self-healing in reversible polymer networks? A combined experimental and theoretical study J Mangialetto, K Gorissen, L Vermeersch, B Van Mele, N Van den Brande, ... Molecules 27 (6), 1961, 2022 | 15 | 2022 |
| Unexpected nucleophilic behaviour of free-radicals generated from α-iodoketones C De Dobbeleer, J Pospíšil, F De Vleeschouwer, F De Proft, IE Marko Chemical communications, 2142-2144, 2009 | 15 | 2009 |
| Van Speybroeck V. Waroquier M. Geerlings P. De Proft F F De Vleeschouwer Org. Lett 9, 2721-2724, 2007 | 15 | 2007 |
