| A chemist's guide to density functional theory W Koch, MC Holthausen John Wiley & Sons, 2015 | 7489 | 2015 |
| Well-defined iron catalysts for the acceptorless reversible dehydrogenation-hydrogenation of alcohols and ketones S Chakraborty, PO Lagaditis, M Förster, EA Bielinski, N Hazari, ... Acs Catalysis 4 (11), 3994-4003, 2014 | 381 | 2014 |
| Crystallographic characterization of a synthetic 1: 1 end‐on copper dioxygen adduct complex C Würtele, E Gaoutchenova, K Harms, MC Holthausen, J Sundermeyer, ... Angewandte Chemie International Edition 45 (23), 3867-3869, 2006 | 358 | 2006 |
| Reactions of a Copper (II) Superoxo Complex Lead to CÀH and OÀH Substrate Oxygenation: Modeling Copper-Monooxygenase CÀH Hydroxylation D Maiti, DH Lee, K Gaoutchenova, C Würtele, MC Holthausen, ... Angew. Chem 120, 88-91, 2008 | 276 | 2008 |
| The reductive coupling of dinitrogen MA Légaré, M Rang, G Bélanger-Chabot, JI Schweizer, I Krummenacher, ... Science 363 (6433), 1329-1332, 2019 | 240 | 2019 |
| Ammonia formation by metal–ligand cooperative hydrogenolysis of a nitrido ligand B Askevold, JT Nieto, S Tussupbayev, M Diefenbach, E Herdtweck, ... Nature chemistry 3 (7), 532-537, 2011 | 233 | 2011 |
| Base-free methanol dehydrogenation using a pincer-supported iron compound and Lewis acid co-catalyst EA Bielinski, M Förster, Y Zhang, WH Bernskoetter, N Hazari, ... Acs Catalysis 5 (4), 2404-2415, 2015 | 219 | 2015 |
| Combined Spectroscopic and Theoretical Evidence for a Persistent End‐On Copper Superoxo Complex M Schatz, V Raab, SP Foxon, G Brehm, S Schneider, M Reiher, ... Angewandte Chemie International Edition 43 (33), 4360-4363, 2004 | 214 | 2004 |
| How Does Fe+ Activate C−C and C−H Bonds in Ethane? A Theoretical Investigation Using Density Functional Theory MC Holthausen, A Fiedler, H Schwarz, W Koch The Journal of Physical Chemistry 100 (15), 6236-6242, 1996 | 202 | 1996 |
| 9, 10‐Dihydro‐9, 10‐diboraanthracene: Supramolecular Structure and Use as a Building Block for Luminescent Conjugated Polymers A Lorbach, M Bolte, H Li, HW Lerner, MC Holthausen, F Jäkle, M Wagner Angewandte Chemie International Edition 48 (25), 4584-4588, 2009 | 198 | 2009 |
| The performance of density‐functional/Hartree–Fock hybrid methods: Cationic transition‐metal methyl complexes MCH+3 (M=Sc–Cu,La,Hf–Au) MC Holthausen, C Heinemann, HH Cornehl, W Koch, H Schwarz The Journal of chemical physics 102 (12), 4931-4941, 1995 | 170 | 1995 |
| Revisiting the electronic ground state of copper corroles M Bröring, F Brégier, E Cónsul Tejero, C Hell, MC Holthausen ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH- 46 (3), 445, 2007 | 165 | 2007 |
| A Synthetic Route to Borylene‐Bridged Poly (ferrocenylene) s JB Heilmann, M Scheibitz, Y Qin, A Sundararaman, F Jäkle, T Kretz, ... Angewandte Chemie 118 (6), 934-939, 2006 | 162 | 2006 |
| Radical-like activation of alkanes by the ligated copper oxide cation (Phenanthroline) CuO+ D Schröder, MC Holthausen, H Schwarz The Journal of Physical Chemistry B 108 (38), 14407-14416, 2004 | 159 | 2004 |
| The performance of density functional/Hartree-Fock hybrid methods: the bonding in cationic first-row transition metal methylene complexes MC Holthausen, M Mohr, W Koch Chemical physics letters 240 (4), 245-252, 1995 | 141 | 1995 |
| C5H4BR2 Bending in Ferrocenylboranes: A Delocalized Through‐Space Interaction Between Iron and Boron M Scheibitz, M Bolte, JW Bats, HW Lerner, I Nowik, RH Herber, A Krapp, ... Chemistry–A European Journal 11 (2), 584-603, 2005 | 140 | 2005 |
| Highly active iron catalyst for ammonia borane dehydrocoupling at room temperature A Glüer, M Förster, VR Celinski, J Schmedt auf der Günne, ... Acs Catalysis 5 (12), 7214-7217, 2015 | 132 | 2015 |
| A Theoretical View on Co+-Mediated C−C and C−H Bond Activations in Ethane MC Holthausen, W Koch Journal of the American Chemical Society 118 (41), 9932-9940, 1996 | 130 | 1996 |
| Kristallographische Charakterisierung eines synthetischen 1: 1‐End‐on‐Kupferdisauerstoff‐Adduktkomplexes C Würtele, E Gaoutchenova, K Harms, MC Holthausen, J Sundermeyer, ... Angewandte Chemie 118 (23), 3951-3954, 2006 | 127 | 2006 |
| Main-chain boron-containing oligophenylenes via ring-opening polymerization of 9-H-9-borafluorene A Hübner, ZW Qu, U Englert, M Bolte, HW Lerner, MC Holthausen, ... Journal of the American Chemical Society 133 (12), 4596-4609, 2011 | 121 | 2011 |
