| Mechanism of Coupling of Alcohols and Amines To Generate Aldimines and H2 by a Pincer Manganese Catalyst J Masdemont, JA Luque-Urrutia, M Gimferrer, D Milstein, A Poater ACS Catalysis 9 (3), 1662-1669, 2019 | 65 | 2019 |
| Covalent and Ionic Capacity of MOFs To Sorb Small Gas Molecules J Poater, M Gimferrer, A Poater Inorganic Chemistry 57 (12), 6981-6990, 2018 | 64 | 2018 |
| Facing the Challenges of Borderline Oxidation State Assignments Using State-of-the-Art Computational Methods M Gimferrer, J Van der Mynsbrugge, AT Bell, P Salvador, M Head-Gordon Inorganic Chemistry 59 (20), 15410-15420, 2020 | 34 | 2020 |
| Scrutinizing the Noninnocence of Quinone Ligands in Ruthenium Complexes: Insights from Structural, Electronic, Energy, and Effective Oxidation State Analyses G Skara, M Gimferrer, F De Proft, P Salvador, B Pinter Inorganic chemistry 55 (5), 2185-2199, 2016 | 32 | 2016 |
| The oxidation state in low-valent beryllium and magnesium compounds M Gimferrer, S Danés, E Vos, CB Yildiz, I Corral, A Jana, P Salvador, ... Chemical Science 13 (22), 6583-6591, 2022 | 27 | 2022 |
| Computational monitoring of oxidation states in olefin metathesis M Gimferrer, P Salvador, A Poater Organometallics 38 (24), 4585-4592, 2019 | 23 | 2019 |
| Knölker Iron Catalysts for Hydrogenation Revisited: A Nonspectator Solvent and Fine-Tuning M Gimferrer, N Joly, S Escayola, E Vińas, S Gaillard, M Sola, JL Renaud, ... Organometallics 41 (10), 1204-1215, 2022 | 20 | 2022 |
| Reply to the ‘Comment on “The oxidation state in low-valent beryllium and magnesium compounds”’by S. Pan and G. Frenking, Chem. Sci., 2022, 13 M Gimferrer, S Danés, E Vos, CB Yildiz, I Corral, A Jana, P Salvador, ... Chemical Science 14 (2), 384-392, 2023 | 19 | 2023 |
| In Silico Switch from Second-to First-Row Transition Metals in Olefin Metathesis: From Ru to Fe and from Rh to Co J Luque-Urrutia, M Gimferrer, E Casals-Cruanas, A Poater Catalysts 7 (12), 389, 2017 | 19 | 2017 |
| Palladium terminal imido complexes with nitrene character A Grünwald, B Goswami, K Breitwieser, B Morgenstern, M Gimferrer, ... Journal of the American Chemical Society 144 (20), 8897-8901, 2022 | 18 | 2022 |
| Oxidation State Localized Orbitals: A Method for Assigning Oxidation States Using Optimally Fragment-Localized Orbitals and a Fragment Orbital Localization Index M Gimferrer, A Aldossary, P Salvador, M Head-Gordon Journal of chemical theory and computation 18 (1), 309-322, 2021 | 17 | 2021 |
| Can We Safely Obtain Formal Oxidation States from Centroids of Localized Orbitals? M Gimferrer, G Comas-Vilŕ, P Salvador Molecules 25 (1), 234, 2020 | 16 | 2020 |
| Exploring Basic Components Effect on the Catalytic Efficiency of Chevron-Phillips Catalyst in Ethylene Trimerization E Naji-Rad, M Gimferrer, N Bahri-Laleh, M Nekoomanesh-Haghighi, ... Catalysts 8 (6), 224, 2018 | 15 | 2018 |
| Monitoring of the Phosphine Role in the Mechanism of Palladium-Catalyzed Benzosilole Formation from Aryloxyethynyl Silanes M Gimferrer, Y Minami, Y Noguchi, T Hiyama, A Poater Organometallics 37 (9), 1456-1461, 2018 | 14 | 2018 |
| Unveiling the Electronic Structure of the Bi (+ 1)/Bi (+ 3) Redox Couple on NCN and NNN Pincer Complexes M Gimferrer, S Danés, DM Andrada, P Salvador Inorganic chemistry 60 (23), 17657-17668, 2021 | 12 | 2021 |
| Phenoxylation of Alkynes through Mono‐and Dual Activation Using Group 11 (Cu, Ag, Au) Catalysts M Ramos, J Poater, N Villegas‐Escobar, M Gimferrer, A Toro‐Labbé, ... European Journal of Inorganic Chemistry 2020 (11-12), 1123-1134, 2020 | 9 | 2020 |
| Enhancement of Knölker Iron Catalysts for Imine Hydrogenation by Predictive Catalysis: From Calculations to Selective Experiments N Joly, M Gimferrer, S Escayola, M Cendra, S Coufourier, JF Lohier, ... Organometallics 42 (14), 1784-1792, 2023 | 6 | 2023 |
| Allyl Monitorization of the Regioselective Pd-Catalyzed Annulation of Alkylnyl Aryl Ethers Leading to Bismethylenechromanes M Gimferrer, MC D’Alterio, G Talarico, Y Minami, T Hiyama, A Poater The Journal of Organic Chemistry 85 (19), 12262-12269, 2020 | 6 | 2020 |
| Merging the energy decomposition analysis with the interacting quantum atoms approach M Gimferrer, S Danés, DM Andrada, P Salvador Journal of Chemical Theory and Computation 19 (12), 3469-3485, 2023 | 5 | 2023 |
| Force Decomposition Analysis: A method to decompose intermolecular forces into physically relevant component contributions A Aldossary, M Gimferrer, Y Mao, H Hao, AK Das, P Salvador, ... The Journal of Physical Chemistry A 127 (7), 1760-1774, 2023 | 4 | 2023 |
Pedro SalvadorDepartment of Chemistry, Institut de Quimica Computacional i Catalisi, Universitat de GironaVerified email at udg.edu
