| Complementarity of reaction force and electron localization function analyses of asynchronicity in bond formation in Diels–Alder reactions D Yepes, JS Murray, P Pérez, LR Domingo, P Politzer, P Jaque Physical Chemistry Chemical Physics 16 (14), 6726-6734, 2014 | 76 | 2014 |
| The reaction force constant as an indicator of synchronicity/nonsynchronicity in [4+ 2] cycloaddition processes D Yepes, O Donoso-Tauda, P Pérez, JS Murray, P Politzer, P Jaque Physical Chemistry Chemical Physics 15 (19), 7311-7320, 2013 | 70 | 2013 |
| The reaction force constant: an indicator of the synchronicity in double proton transfer reactions D Yepes, JS Murray, P Politzer, P Jaque Physical Chemistry Chemical Physics 14 (31), 11125-11134, 2012 | 70 | 2012 |
| Unveiling the delicate balance of steric and dispersion interactions in organocatalysis using high-level computational methods D Yepes, F Neese, B List, G Bistoni Journal of the American Chemical Society 142 (7), 3613-3625, 2020 | 69 | 2020 |
| Scalable and Highly Diastereo-and Enantioselective Catalytic Diels–Alder Reaction of α, β-Unsaturated Methyl Esters T Gatzenmeier, M Turberg, D Yepes, Y Xie, F Neese, G Bistoni, B List Journal of the American Chemical Society 140 (40), 12671-12676, 2018 | 68 | 2018 |
| Deeper Insight into the Factors Controlling H2 Activation by Geminal Aminoborane‐Based Frustrated Lewis Pairs D Yepes, P Jaque, I Fernández Chemistry-A European Journal 22 (52), 18801-18809, 2016 | 59 | 2016 |
| Structures, energies and bonding in neutral and charged Li microclusters D Yepes, SR Kirk, S Jenkins, A Restrepo Journal of molecular modeling 18 (9), 4171-4189, 2012 | 40 | 2012 |
| Strong and confined acids control five stereogenic centers in catalytic asymmetric Diels–Alder reactions of cyclohexadienones with cyclopentadiene S Ghosh, S Das, CK De, D Yepes, F Neese, G Bistoni, M Leutzsch, B List Angewandte Chemie International Edition 59 (30), 12347-12351, 2020 | 39 | 2020 |
| Hydrogenation of Multiple Bonds by Geminal AminoBorane‐Based Frustrated Lewis Pairs D Yepes, P Jaque, I Fernandez Chemistry–A European Journal, 2018 | 36 | 2018 |
| Effect of Lewis acid bulkiness on the stereoselectivity of Diels-Alder reactions between acyclic dienes and α, β–enals D Yepes, P Pérez, P Jaque, I Fernández Organic Chemistry Frontiers, 2017 | 36 | 2017 |
| Fine structure in the transition region: reaction force analyses of water-assisted proton transfers D Yepes, JS Murray, JC Santos, A Toro-Labbé, P Politzer, P Jaque Journal of molecular modeling 19, 2689-2697, 2013 | 36 | 2013 |
| Effect of the exchange–correlation functional on the synchronicity/nonsynchronicity in bond formation in Diels–Alder reactions: a reaction force constant analysis D Yepes, J Valenzuela, JI Martínez-Araya, P Pérez, P Jaque Physical Chemistry Chemical Physics 21 (14), 7412-7428, 2019 | 35 | 2019 |
| Photoemission Spectra and Density Functional Theory Calculations of 3d Transition Metal–Aqua Complexes (Ti–Cu) in Aqueous Solution D Yepes, R Seidel, B Winter, J Blumberger, P Jaque The Journal of Physical Chemistry B 118 (24), 6850-6863, 2014 | 35 | 2014 |
| Insights into some Diels–Alder cycloadditions via the electrostatic potential and the reaction force constant JS Murray, D Yepes, P Jaque, P Politzer Computational and Theoretical Chemistry 1053, 270-280, 2015 | 34 | 2015 |
| Driving and retarding forces in a chemical reaction P Politzer, JS Murray, D Yepes, P Jaque Journal of molecular modeling 20, 1-6, 2014 | 28 | 2014 |
| A computational and conceptual DFT study on the mechanism of hydrogen activation by novel frustrated Lewis pairs P Pérez, D Yepes, P Jaque, E Chamorro, LR Domingo, RS Rojas, ... Physical Chemistry Chemical Physics 17 (16), 10715-10725, 2015 | 24 | 2015 |
| Why Low Valent Lead (II) Hydride Complex Would be a Better Catalyst for CO2 Activation Than Its 14 Group Analogs? N Villegas-Escobar, DE Ortega, D Cortés-Arriagada, R Duran, D Yepes, ... The Journal of Physical Chemistry C, 2017 | 15 | 2017 |
| The Role of Co‐Activation and Ligand Functionalization in Neutral Methallyl Nickel (II) Catalysts for Ethylene Oligomerization and Polymerization DE Ortega, D Cortés‐Arriagada, OS Trofymchuk, D Yepes, ... Chemistry–A European Journal 23 (42), 10167-10176, 2017 | 14 | 2017 |
| Real-Space Approach to the Reaction Force: Understanding the Origin of Synchronicity/Nonsynchronicity in Multibond Chemical Reactions D Yepes, J Munarriz, D l’Anson, J Contreras-Garcia, P Jaque The Journal of Physical Chemistry A 124 (10), 1959-1972, 2020 | 13 | 2020 |
| Scrutinizing the substituent effect on Mo-based electrocatalysts for molecular hydrogen release through axial–equatorial decomposition: a DFT study D Yepes, P Jaque, JI Martínez-Araya Physical Chemistry Chemical Physics 21 (30), 16601-16614, 2019 | 12 | 2019 |
