Max C. Holthausen

Overview

Best Publications

• A Chemist's Guide to Density Functional Theory

  Wolfram Koch;Max C. Holthausen

  7069
  Citations

• Well-Defined Iron Catalysts for the Acceptorless Reversible Dehydrogenation-Hydrogenation of Alcohols and Ketones

  Sumit Chakraborty;Paraskevi O. Lagaditis;Moritz Förster;Elizabeth A. Bielinski

  384
  Citations

• Crystallographic characterization of a synthetic 1:1 end-on copper dioxygen adduct complex.

  Christian Würtele;Ekaterina Gaoutchenova;Klaus Harms;Max C. Holthausen

  356
  Citations

• Reactions of a copper(II) superoxo complex lead to C-H and O-H substrate oxygenation: modeling copper-monooxygenase C-H hydroxylation.

  Debabrata Maiti;Dong-Heon Lee;Dong-Heon Lee;Katya Gaoutchenova;Christian Würtele

  303
  Citations

• The reductive coupling of dinitrogen.

  Marc-André Légaré;Maximilian Rang;Guillaume Bélanger-Chabot;Julia I. Schweizer

  265
  Citations

• Ammonia formation by metal–ligand cooperative hydrogenolysis of a nitrido ligand

  Bjorn Askevold;Jorge Torres Nieto;Samat Tussupbayev;Martin Diefenbach

  243
  Citations

• Base-Free Methanol Dehydrogenation Using a Pincer-Supported Iron Compound and Lewis Acid Co-catalyst

  Elizabeth A. Bielinski;Moritz Förster;Yuanyuan Zhang;Wesley H. Bernskoetter

  217
  Citations

• Combined spectroscopic and theoretical evidence for a persistent end-on copper superoxo complex.

  Markus Schatz;Volker Raab;Simon P. Foxon;Georg Brehm

  212
  Citations

• 9,10-Dihydro-9,10-diboraanthracene: supramolecular structure and use as a building block for luminescent conjugated polymers.

  Andreas Lorbach;Michael Bolte;Haiyan Li;Hans-Wolfram Lerner

  208
  Citations

• How Does Fe+ Activate C−C and C−H Bonds in Ethane? A Theoretical Investigation Using Density Functional Theory†

  Max C. Holthausen;Andreas Fiedler;Helmut Schwarz;Wolfram Koch

  201
  Citations

• Revisiting the Electronic Ground State of Copper Corroles

  Martin Bröring;Frédérique Brégier;Esther Cónsul Tejero;Christian Hell

  173
  Citations

• C5H4 ? BR2 Bending in Ferrocenylboranes: A Delocalized Through‐Space Interaction Between Iron and Boron

  Matthias Scheibitz;Michael Bolte;Jan W. Bats;H.-Wolfram Lerner

  172
  Citations

• The performance of density‐functional/Hartree–Fock hybrid methods: Cationic transition‐metal methyl complexes MCH+3 (M=Sc–Cu,La,Hf–Au)

  Max C. Holthausen;Christoph Heinemann;Hans H. Cornehl;Wolfram Koch

  165
  Citations

• A synthetic route to borylene-bridged poly(ferrocenylene)s.

  Julia B. Heilmann;Matthias Scheibitz;Yang Qin;Anand Sundararaman

  161
  Citations

• Radical-Like Activation of Alkanes by the Ligated Copper Oxide Cation (Phenanthroline)CuO+†

  Detlef Schröder;Max C. Holthausen;Helmut Schwarz

  156
  Citations

• Highly Active Iron Catalyst for Ammonia Borane Dehydrocoupling at Room Temperature

  Arne Glüer;Moritz Förster;Vinicius R. Celinski;Jörn Schmedt auf der Günne

  152
  Citations

• Spectroscopic and Computational Studies of an End-on Bound Superoxo-Cu(II) Complex: Geometric and Electronic Factors That Determine the Ground State

  Julia S. Woertink;Li Tian;Debabrata Maiti;Heather R. Lucas

  146
  Citations

• The performance of density functional/Hartree-Fock hybrid methods: the bonding in cationic first-row transition metal methylene complexes

  Max C. Holthausen;Matthias Mohr;Wolfram Koch

  141
  Citations

• Confirmed by X-ray Crystallography: The B⋅B One-Electron σ Bond

  Alexander Hübner;Andreas M. Diehl;Martin Diefenbach;Burkhard Endeward

  132
  Citations

• Kristallographische Charakterisierung eines synthetischen 1:1-End-on-Kupferdisauerstoff- Adduktkomplexes†

  Christian Würtele;Ekaterina Gaoutchenova;Klaus Harms;Max C. Holthausen

  125
  Citations

• Main-chain boron-containing oligophenylenes via ring-opening polymerization of 9-H-9-borafluorene.

  Alexander Hübner;Zheng-Wang Qu;Ulli Englert;Michael Bolte

  121
  Citations

• Elementary Quantum Chemistry

  Wolfram Koch;Max C. Holthausen

  21
  Citations