| Mild C−H/C−C Activation by Z‐Selective Cobalt Catalysis D Zell, Q Bu, M Feldt, L Ackermann Angewandte Chemie International Edition 55 (26), 7408-7412, 2016 | 182 | 2016 |
| Toward highly accurate spin state energetics in first-row transition metal complexes: a combined CASPT2/CC approach QM Phung, M Feldt, JN Harvey, K Pierloot Journal of chemical theory and computation 14 (5), 2446-2455, 2018 | 126 | 2018 |
| Manganese (I)‐Catalyzed Dispersion‐Enabled C− H/C− C Activation TH Meyer, W Liu, M Feldt, A Wuttke, RA Mata, L Ackermann Chemistry–A European Journal 23 (23), 5443-5447, 2017 | 113 | 2017 |
| Cobalt (III)-catalyzed hydroarylation of allenes via C–H activation S Nakanowatari, R Mei, M Feldt, L Ackermann ACS Catalysis 7 (4), 2511-2515, 2017 | 110 | 2017 |
| Online conferences–Towards a new (virtual) reality G Roos, J Oláh, R Ingle, R Kobayashi, M Feldt Computational and Theoretical Chemistry 1189, 112975, 2020 | 90 | 2020 |
| Free-energy perturbation and quantum mechanical study of SAMPL4 octa-acid host–guest binding energies P Mikulskis, D Cioloboc, M Andrejić, S Khare, J Brorsson, S Genheden, ... Journal of computer-aided molecular design 28, 375-400, 2014 | 85 | 2014 |
| Synergistic Heterobimetallic Manifold for Expedient Manganese (I)‐Catalyzed C− H Cyanation W Liu, SC Richter, R Mei, M Feldt, L Ackermann Chemistry–A European Journal 22 (50), 17958-17961, 2016 | 83 | 2016 |
| Limits of coupled-cluster calculations for non-heme iron complexes M Feldt, QM Phung, K Pierloot, RA Mata, JN Harvey Journal of chemical theory and computation 15 (2), 922-937, 2019 | 68 | 2019 |
| Study of ligand effects in aurophilic interactions using local correlation methods M Andrejić, RA Mata Physical Chemistry Chemical Physics 15 (41), 18115-18122, 2013 | 47 | 2013 |
| Ab initio calculations for spin-gaps of non-heme iron complexes QM Phung, C Martin-Fernandez, JN Harvey, M Feldt Journal of chemical theory and computation 15 (8), 4297-4304, 2019 | 37 | 2019 |
| A quantum-mechanical study of the reaction mechanism of sulfite oxidase MC Van Severen, M Andrejić, J Li, K Starke, RA Mata, E Nordlander, ... JBIC Journal of Biological Inorganic Chemistry 19, 1165-1179, 2014 | 28 | 2014 |
| All that binds is not gold—The relative weight of aurophilic interactions in complex formation A Wuttke, M Feldt, RA Mata The Journal of Physical Chemistry A 122 (34), 6918-6925, 2018 | 27 | 2018 |
| QM/MM study of the reaction mechanism of sulfite oxidase O Caldararu, M Feldt, D Cioloboc, MC van Severen, K Starke, RA Mata, ... Scientific Reports 8 (1), 4684, 2018 | 27 | 2018 |
| Coupled‐Cluster Interaction Energies for 200‐Atom Host–Guest Systems M Andrejić, U Ryde, RA Mata, P Söderhjelm ChemPhysChem 15 (15), 3270-3281, 2014 | 21 | 2014 |
| A computational comparison of oxygen atom transfer catalyzed by dimethyl sulfoxide reductase with Mo and W J Li, M Andrejić, RA Mata, U Ryde European Journal of Inorganic Chemistry 2015 (21), 3580-3589, 2015 | 20 | 2015 |
| Ab Initio Methods in First‐Row Transition Metal Chemistry M Feldt, QM Phung European Journal of Inorganic Chemistry, 2022 | 19 | 2022 |
| Energetics of non-heme iron reactivity: can ab initio calculations provide the right answer? M Feldt, C Martín-Fernández, JN Harvey Physical Chemistry Chemical Physics 22 (41), 23908-23919, 2020 | 18 | 2020 |
| Local hybrid QM/QM calculations of reaction pathways in metallobiosites M Andrejic, RA Mata Journal of Chemical Theory and Computation 10 (12), 5397-5404, 2014 | 16 | 2014 |
| Large-Scale Cobalt-Catalyzed Cross-Couplings of Functionalized Bench-Stable Arylzinc Pivalates with (Hetero) Aryl and Alkenyl Halides MS Hofmayer, JM Hammann, FH Lutter, P Knochel Synthesis 49 (17), 3925-3930, 2017 | 15 | 2017 |
| Assessment of local coupled cluster methods for excited states of BODIPY/Aza‐BODIPY families M Feldt, A Brown Journal of Computational Chemistry 42 (3), 144-155, 2021 | 14 | 2021 |
Ricardo A. MataUniversity of Göttingen在 gwdg.de 的电子邮件经过验证
