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Max C Holthausen
Max C Holthausen
Professor für Computational Chemistry, Goethe-Universität Frankfurt
Verified email at chemie.uni-frankfurt.de - Homepage
Title
Cited by
Cited by
Year
A chemist's guide to density functional theory
W Koch, MC Holthausen
John Wiley & Sons, 2015
72622015
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
3652014
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
3372006
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
2742008
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
2302011
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
2072004
The reductive coupling of dinitrogen
MA Légaré, M Rang, G Bélanger-Chabot, JI Schweizer, I Krummenacher, ...
Science 363 (6433), 1329-1332, 2019
2042019
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
2022015
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
2021996
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
1942009
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
1651995
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
1592007
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
1572006
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
1572004
C5H4BR2 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
1362005
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
1352015
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
1351995
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
1272006
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
1241996
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
1162011
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