GoodVibes: automated thermochemistry for heterogeneous computational chemistry data G Luchini, JV Alegre-Requena, I Funes-Ardoiz, RS Paton F1000Research 9 (291), 291, 2020 | 390* | 2020 |
Redox non-innocent ligand controls water oxidation overpotential in a new family of mononuclear Cu-based efficient catalysts P Garrido-Barros, I Funes-Ardoiz, S Drouet, J Benet-Buchholz, F Maseras, ... Journal of the American Chemical Society 137 (21), 6758-6761, 2015 | 306 | 2015 |
Oxidative coupling mechanisms: current state of understanding I Funes-Ardoiz, F Maseras Acs Catalysis 8 (2), 1161-1172, 2018 | 101 | 2018 |
Rational design and synthesis of efficient sunscreens to boost the solar protection factor R Losantos, I Funes‐Ardoiz, J Aguilera, E Herrera‐Ceballos, ... Angewandte Chemie 129 (10), 2676-2679, 2017 | 83 | 2017 |
Accelerated dinuclear palladium catalyst identification through unsupervised machine learning JA Hueffel, T Sperger, I Funes-Ardoiz, JS Ward, K Rissanen, ... Science 374 (6571), 1134-1140, 2021 | 82 | 2021 |
Modular and Selective Arylation of Aryl Germanes (C−GeEt3) over C−Bpin, C−SiR3 and Halogens Enabled by Light‐Activated Gold Catalysis GJ Sherborne, AG Gevondian, I Funes‐Ardoiz, A Dahiya, C Fricke, ... Angewandte Chemie 132 (36), 15673-15678, 2020 | 79 | 2020 |
Orthogonal nanoparticle catalysis with organogermanes C Fricke, GJ Sherborne, I Funes‐Ardoiz, E Senol, S Guven, ... Angewandte Chemie International Edition 58 (49), 17788-17795, 2019 | 79 | 2019 |
Single electron transfer steps in water oxidation catalysis. redefining the mechanistic scenario I Funes-Ardoiz, P Garrido-Barros, A Llobet, F Maseras ACS Catalysis 7 (3), 1712-1719, 2017 | 76 | 2017 |
Copper‐Catalyzed N− F Bond Activation for Uniform Intramolecular C− H Amination Yielding Pyrrolidines and Piperidines D Bafaluy, JM Muñoz‐Molina, I Funes‐Ardoiz, S Herold, AJ de Aguirre, ... Angewandte Chemie International Edition 58 (26), 8912-8916, 2019 | 71* | 2019 |
Hydroalkylation of unactivated olefins via visible-light-driven dual hydrogen atom transfer catalysis G Lei, M Xu, R Chang, I Funes-Ardoiz, J Ye Journal of the American Chemical Society 143 (29), 11251-11261, 2021 | 69 | 2021 |
Established and emerging computational tools to study homogeneous catalysis—from quantum mechanics to machine learning I Funes-Ardoiz, F Schoenebeck Chem 6 (8), 1904-1913, 2020 | 58 | 2020 |
Elucidating the mechanism of aryl aminations mediated by NHC-supported nickel complexes: Evidence for a nonradical Ni (0)/Ni (II) pathway SG Rull, I Funes-Ardoiz, C Maya, F Maseras, MR Fructos, TR Belderrain, ... ACS Catalysis 8 (5), 3733-3742, 2018 | 55 | 2018 |
Halide Abstraction Competes with Oxidative Addition in the Reactions of Aryl Halides with [Ni(PMenPh(3−n))4] I Funes‐Ardoiz, DJ Nelson, F Maseras Chemistry–A European Journal 23 (66), 16728-16733, 2017 | 53 | 2017 |
Cooperative Reductive Elimination: The Missing Piece in the Oxidative‐Coupling Mechanistic Puzzle I Funes‐Ardoiz, F Maseras Angewandte Chemie 128 (8), 2814-2817, 2016 | 51 | 2016 |
Visible-light mediated catalytic asymmetric radical deuteration at non-benzylic positions Q Shi, M Xu, R Chang, D Ramanathan, B Peñin, I Funes-Ardoiz, J Ye Nature Communications 13 (1), 4453, 2022 | 46 | 2022 |
Modular access to substituted cyclohexanes with kinetic stereocontrol Y Li, Y Li, H Shi, H Wei, H Li, I Funes-Ardoiz, G Yin Science 376 (6594), 749-753, 2022 | 42 | 2022 |
Oxazolone‐Based Photoswitches: Synthesis and Properties M Blanco‐Lomas, I Funes‐Ardoiz, PJ Campos, D Sampedro European Journal of Organic Chemistry 2013 (29), 6611-6618, 2013 | 42 | 2013 |
Site-selective α-C–H functionalization of trialkylamines via reversible hydrogen atom transfer catalysis Y Shen, I Funez-Ardoiz, F Schoenebeck, T Rovis Journal of the American Chemical Society 143 (45), 18952-18959, 2021 | 41 | 2021 |
Consecutive Ligand‐Based Electron Transfer in New Molecular Copper‐Based Water Oxidation Catalysts M Gil‐Sepulcre, P Garrido‐Barros, J Oldengott, I Funes‐Ardoiz, R Bofill, ... Angewandte Chemie International Edition 60 (34), 18639-18644, 2021 | 38 | 2021 |
Selective ortho‐Functionalization of Adamantylarenes Enabled by Dispersion and an Air‐Stable Palladium(I) Dimer I Kalvet, K Deckers, I Funes‐Ardoiz, G Magnin, T Sperger, M Kremer, ... Angewandte Chemie 132 (20), 7795-7799, 2020 | 38 | 2020 |