| The activation strain model and molecular orbital theory LP Wolters, FM Bickelhaupt Wiley Interdisciplinary Reviews: Computational Molecular Science 5 (4), 324-343, 2015 | 351 | 2015 |
| Halogen bonding versus hydrogen bonding: a molecular orbital perspective LP Wolters, FM Bickelhaupt ChemistryOpen 1 (2), 96-105, 2012 | 253 | 2012 |
| The many faces of halogen bonding: A review of theoretical models and methods LP Wolters, P Schyman, MJ Pavan, WL Jorgensen, FM Bickelhaupt, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 4 (6), 523-540, 2014 | 243 | 2014 |
| Mechanistic Insight into the Oxidation of Organic Phenylselenides by H2O2 G Ribaudo, M Bellanda, I Menegazzo, LP Wolters, M Bortoli, ... Chemistry-A European Journal 23 (10), 2405-2422, 2017 | 74 | 2017 |
| Controlling the oxidative addition of aryl halides to Au (I) I Fernández, LP Wolters, FM Bickelhaupt Journal of computational chemistry 35 (29), 2140-2145, 2014 | 70 | 2014 |
| Nonlinear d10‐ML2 Transition‐Metal Complexes LP Wolters, FM Bickelhaupt ChemistryOpen 2 (3), 106-114, 2013 | 70 | 2013 |
| Covalency in resonance-assisted halogen bonds demonstrated with cooperativity in N-halo-guanine quartets LP Wolters, NWG Smits, CF Guerra Physical Chemistry Chemical Physics 17 (3), 1585-1592, 2015 | 69 | 2015 |
| Role of steric attraction and bite-angle flexibility in metal-mediated C–H bond activation LP Wolters, R Koekkoek, FM Bickelhaupt ACS Catalysis 5 (10), 5766-5775, 2015 | 67 | 2015 |
| Nucleophilic substitution in solution: activation strain analysis of weak and strong solvent effects TA Hamlin, B van Beek, LP Wolters, FM Bickelhaupt Chemistry–A European Journal 24 (22), 5927-5938, 2018 | 62 | 2018 |
| Insights on selenium and tellurium diaryldichalcogenides: A benchmark DFT study F Zaccaria, LP Wolters, C Fonseca Guerra, L Orian Journal of Computational Chemistry 37 (18), 1672-1680, 2016 | 61 | 2016 |
| Addition–elimination or nucleophilic substitution? Understanding the energy profiles for the reaction of chalcogenolates with dichalcogenides M Bortoli, LP Wolters, L Orian, FM Bickelhaupt Journal of Chemical Theory and Computation 12 (6), 2752-2761, 2016 | 48 | 2016 |
| New Concepts for Designing d10‐M(L)n Catalysts: d Regime, s Regime and Intrinsic Bite‐Angle Flexibility LP Wolters, WJ van Zeist, FM Bickelhaupt Chemistry–A European Journal 20 (36), 11370-11381, 2014 | 48 | 2014 |
| Reaction coordinates and the transition-vector approximation to the IRC WJ van Zeist, AH Koers, LP Wolters, FM Bickelhaupt Journal of Chemical Theory and Computation 4 (6), 920-928, 2008 | 48 | 2008 |
| WIRES Comput. Mol. Sci. 2015, 5, 324; d) I. Fernandez, FM Bickelhaupt LP Wolters Chem. Soc. Rev 43, 4953, 2014 | 43 | 2014 |
| WIREs Comput. Mol. Sci. 2015, 5, 324–343; c) FM Bickelhaupt, KN Houk LP Wolters Angew. Chem. Int. Ed 56, 10070-10086, 2017 | 42 | 2017 |
| Understanding E2 versus SN2 Competition under Acidic and Basic Conditions LP Wolters, Y Ren, FM Bickelhaupt ChemistryOpen 3 (1), 29-36, 2014 | 41 | 2014 |
| General AMBER force field parameters for diphenyl diselenides and diphenyl ditellurides M Torsello, AC Pimenta, LP Wolters, IS Moreira, L Orian, A Polimeno The Journal of Physical Chemistry A 120 (25), 4389-4400, 2016 | 34 | 2016 |
| In Silico Design of Heteroaromatic Half‐Sandwich RhI Catalysts for Acetylene [2+2+2] Cyclotrimerization: Evidence of a Reverse Indenyl Effect L Orian, LP Wolters, FM Bickelhaupt Chemistry–A European Journal 19 (40), 13337-13347, 2013 | 34 | 2013 |
| Enhanced π‐Back‐Donation as a Way to Higher Coordination Numbers in d10 [M(NHC)n] Complexes: A DFT Study J Nitsch, LP Wolters, C Fonseca Guerra, FM Bickelhaupt, A Steffen Chemistry–A European Journal 23 (3), 614-622, 2017 | 23 | 2017 |
| Asymmetric identity SN2 transition states: Nucleophilic substitution at α-substituted carbon and silicon centers MVJ Rocha, NWG Smits, LP Wolters, A de Cózar, CF Guerra, ... International Journal of Mass Spectrometry 413, 85-91, 2017 | 20 | 2017 |
