A critical evaluation of different QM/MM frontier treatments with SCC-DFTB as the QM method PH König, M Hoffmann, T Frauenheim, Q Cui The Journal of Physical Chemistry B 109 (18), 9082-9095, 2005 | 187 | 2005 |
Toward theoretical analyis of long-range proton transfer kinetics in biomolecular pumps PH König, N Ghosh, M Hoffmann, M Elstner, E Tajkhorshid, T Frauenheim, ... The Journal of Physical Chemistry A 110 (2), 548-563, 2006 | 121 | 2006 |
Functionalized Contorted Polycyclic Aromatic Hydrocarbons by a One‐Step Cyclopentannulation and Regioselective Triflyloxylation X Yang, M Hoffmann, F Rominger, T Kirschbaum, A Dreuw, M Mastalerz Angewandte Chemie International Edition 58 (31), 10650-10654, 2019 | 37 | 2019 |
A metal‐free direct arene C− H amination T Wang, M Hoffmann, A Dreuw, E Hasagić, C Hu, PM Stein, S Witzel, ... Advanced Synthesis & Catalysis 363 (11), 2783-2795, 2021 | 33 | 2021 |
Visible Light‐Enabled sp3‐C−H Functionalization with Chloro‐ and Bromoalkynes: Chemoselective Route to Vinylchlorides or Alkynes T Adak, M Hoffmann, S Witzel, M Rudolph, A Dreuw, ASK Hashmi Chemistry–A European Journal 26 (67), 15573-15580, 2020 | 29 | 2020 |
Homoconjugation and intramolecular charge transfer in extended aromatic triptycenes with different π-planes K Baumgärtner, M Hoffmann, F Rominger, SM Elbert, A Dreuw, ... The Journal of Organic Chemistry 85 (23), 15256-15272, 2020 | 29 | 2020 |
The inverted singlet–triplet gap: a vanishing myth? A Dreuw, M Hoffmann Frontiers in Chemistry 11, 1239604, 2023 | 28 | 2023 |
Gold Catalysis Meets Materials Science–A New Approach to π‐Extended Indolocarbazoles CM Hendrich, LM Bongartz, MT Hoffmann, U Zschieschang, JW Borchert, ... Advanced Synthesis & Catalysis 363 (2), 549-557, 2021 | 27 | 2021 |
Electron–hole correlation as unambiguous and universal classification for the nature of low-lying ππ* states of nitrogen heterocycles M Hoffmann, SA Mewes, S Wieland, C Popp, A Dreuw The Journal of Physical Chemistry Letters 10 (20), 6112-6117, 2019 | 21 | 2019 |
Fully bridged triphenylamines comprising five‐and seven‐membered rings I Michalsky, V Gensch, C Walla, M Hoffmann, F Rominger, T Oeser, ... Chemistry–A European Journal 28 (34), e202200326, 2022 | 20 | 2022 |
Spectroscopic monitoring of mechanical forces during protein folding by using molecular force probes T Stauch, MT Hoffmann, A Dreuw ChemPhysChem 17 (10), 1486-1492, 2016 | 19 | 2016 |
Excitation of aryl cations as the key to catalyst-free radical arylations S Witzel, M Hoffmann, M Rudolph, M Kerscher, P Comba, A Dreuw, ... Cell Reports Physical Science 2 (2), 2021 | 18 | 2021 |
Mechanochemically triggered topology changes in expanded porphyrins T Bettens, M Hoffmann, M Alonso, P Geerlings, A Dreuw, F De Proft Chemistry–A European Journal 27 (10), 3397-3406, 2021 | 18 | 2021 |
Geometry dependence of excitonic couplings and the consequences for configuration‐space sampling N Schieschke, BM Bold, PM Dohmen, D Wehl, M Hoffmann, A Dreuw, ... Journal of Computational Chemistry 42 (20), 1402-1418, 2021 | 17 | 2021 |
Synthesis of Fulvene Vinyl Ethers by Gold Catalysis A Ahrens, J Schwarz, DM Lustosa, R Pourkaveh, M Hoffmann, ... Chemistry–A European Journal 26 (23), 5280-5287, 2020 | 17 | 2020 |
Electronic properties of 6, 13-diazapentacene adsorbed on Au (111): a quantitative determination of transport, singlet and triplet states, and electronic spectra M Ajdari, T Schmitt, M Hoffmann, F Maass, H Reiss, UHF Bunz, A Dreuw, ... The Journal of Physical Chemistry C 124 (24), 13196-13205, 2020 | 16 | 2020 |
Cyclopentannulated Dihydrotetraazapentacenes R Heckershoff, S Maier, T Wurm, P Biegger, K Brödner, P Krämer, ... Chemistry–A European Journal 28 (12), e202104203, 2022 | 15 | 2022 |
Synthesis of 2-(Arylselanyl) benzo [b] chalcogenophenes via Intramolecular Cyclization of Vinyl Selenides G Stach, TJ Peglow, JA Roehrs, F Penteado, T Barcellos, RG Jacob, ... Synthesis 51 (02), 578-586, 2019 | 14 | 2019 |
A Radical Chain: Mononuclear “Gold Only” Photocatalysis S Witzel, M Hoffmann, M Rudolph, F Rominger, A Dreuw, ASK Hashmi Advanced Synthesis & Catalysis 364 (3), 581-592, 2022 | 12 | 2022 |
High‐Resolution Electronic Excitation and Emission Spectra of Pentacene and 6, 13‐Diazapentacene Monomers and Weakly Bound Dimers by Matrix‐Isolation Spectroscopy J Thusek, M Hoffmann, O Hübner, S Germer, H Hoffmann, J Freudenberg, ... Chemistry–A European Journal 27 (6), 2072-2081, 2021 | 12 | 2021 |