Yu, M.; Waag, F.; Chan, C. K.; Weidenthaler, C.; Barcikowski, S.; Tüysüz, H.: Laser Fragmentation‐Induced Defect‐Rich Cobalt Oxide Nanoparticles for Electrochemical Oxygen Evolution Reaction. ChemSusChem 13 (3), S. 520 - 528 (2020)

Lang, L.; Atanasov, M.; Neese, F.: Improvement of Ab Initio Ligand Field Theory by Means of Multistate Perturbation Theory. The Journal of Physical Chemistry A 124 (5), S. 1025 - 1037 (2020)

Liu, S.; Klussmann, M.: Acid promoted radical-chain difunctionalization of styrenes with stabilized radicals and (N,O)-nucleophiles. Chemical Communications 56 (10), S. 1557 - 1560 (2020)

Jin, T.; Käldström, M.; Benavides, A.; Kaufman Rechulski, M. D.; Jarboe, L. R.: Utilization of mechanocatalytic oligosaccharides by ethanologenic Escherichia coli as a model microbial cell factory. AMB Express 10 (1), 28 (2020)

Aukland, M.; Šiaučiulis, M.; West, A.; Perry, G. J. P.; Procter, D. J.: Metal-free photoredox-catalysed formal C–H/C–H coupling of arenes enabled by interrupted Pummerer activation. Nature Catalysis 3 (2), S. 163 - 169 (2020)

Jung, J.; Löffler, S. T.; Langmann, J.; Heinemann, F. W.; Bill, E.; Bistoni, G.; Scherer, W.; Atanasov, M.; Meyer, K.; Neese, F.: Dispersion Forces Drive the Formation of Uranium–Alkane Adducts. Journal of the American Chemical Society 142 (4), S. 1864 - 1870 (2020)

Wang, J.-b.; Huang, Q.; Peng, W.; Wu, P.; Yu, D.; Chen, B.; Wang, B.; Reetz, M. T.: P450-BM3-Catalyzed Sulfoxidation versus Hydroxylation: A Common or Two Different Catalytically Active Species? Journal of the American Chemical Society 142 (4), S. 2068 - 2073 (2020)

Delcaillau, T.; Bismuto, A.; Lian, Z.; Morandi, B.: Nickel‐Catalyzed Inter‐ and Intramolecular Aryl Thioether Metathesis by Reversible Arylation. Angewandte Chemie, International Edition 59 (5), S. 2110 - 2114 (2020)

Xu, P.; Zhao, D.; Berger, F.; Hamad, A.; Rickmeier, J.; Petzold, R.; Kondratiuk, M.; Bohdan, K.; Ritter, T.: Site‐Selective Late‐Stage Aromatic [¹⁸F]Fluorination via Aryl Sulfonium Salts. Angewandte Chemie, International Edition 59 (5), S. 1956 - 1960 (2020)

Schulz, A.-C.; Frielingsdorf, S.; Pommerening, P.; Lauterbach, L.; Bistoni, G.; Neese, F.; Oestreich, M.; Lenz, O.: Formyltetrahydrofolate Decarbonylase Synthesizes the Active Site CO Ligand of O₂-Tolerant [NiFe] Hydrogenase. Journal of the American Chemical Society 142 (3), S. 1457 - 1464 (2020)

Chilkuri, V. G.; DeBeer, S.; Neese, F.: Ligand Field Theory and Angular Overlap Model Based Analysis of the Electronic Structure of Homovalent Iron–Sulfur Dimers. Inorganic Chemistry 59 (2), S. 984 - 995 (2020)

Rolfes, J. D.; van Gastel, M.; Neese, F.: Where Is the Fluoro Wall?: A Quantum Chemical Investigation. Inorganic Chemistry 59 (2), S. 1556 - 1565 (2020)

Planas, O.; Wang, F.; Leutzsch, M.; Cornella, J.: Fluorination of arylboronic esters enabled by bismuth redox catalysis. Science 367 (6475), S. 313 - 317 (2020)

Aldermann, O. L. G.; Benmore, C. J.; Feller, S.; Kamitsos, E. I.; Simandiras, E. D.; Liakos, D. G.; Jesuit, M.; Boyd, M.; Packard, M.; Weber, R.: Short-Range Disorder in TeO₂ Melt and Glass. The Journal of Physical Chemistry Letters 11 (2), S. 427 - 431 (2020)

Berraud-Pache, R.; Neese, F.; Bistoni, G.; Izsák, R.: Unveiling the Photophysical Properties of Boron-dipyrromethene Dyes Using a New Accurate Excited State Coupled Cluster Method. Journal of Chemical Theory and Computation 16 (1), S. 564 - 575 (2020)

Guo, Y.; Riplinger, C.; Liakos, D. G.; Becker, U.; Saitow, M.; Neese, F.: Linear scaling perturbative triples correction approximations for open-shell domain-based local pair natural orbital coupled cluster singles and doubles theory [DLPNO-CCSD(T₀/T)]. The Journal of Chemical Physics 152 (2), 024116 (2020)

Liakos, D. G.; Guo, Y.; Neese, F.: Comprehensive Benchmark Results for the Domain Based Local Pair Natural Orbital Coupled Cluster Method (DLPNO-CCSD(T)) for Closed- and Open-Shell Systems. The Journal of Physical Chemistry A 124 (1), S. 90 - 100 (2020)

Lang, L.; Sivalingam, K.; Neese, F.: The combination of multipartitioning of the Hamiltonian with canonical Van Vleck perturbation theory leads to a Hermitian variant of quasidegenerate N-electron valence perturbation theory. The Journal of Chemical Physics 152 (1), 014109 (2020)

Carroll, A.-M.; McCarthy, M.; Lacey, P. M.; Saunders, C. P.; Connolly, D. J.; Farrell, A.; Rokade, B. V.; Goddard, R.; Fristrup, P.; Norrby, P.-O. et al.; Guiry, P. J.: Synthetic and mechanistic studies in enantioselective allylic substitutions catalysed by palladium complexes of a modular class of axially chiral quinazoline-containing ligands. Tetrahedron 76 (1), 130780 (2020)

Li, J.; Chen, J.; Sang, R.; Ham, W.-S.; Plutschack, M. B.; Berger, F.; Chabbra, S.; Schnegg, A.; Genicot, C.; Ritter, T.: Photoredox catalysis with aryl sulfonium salts enables site-selective late-stage fluorination. Nature Chemistry 12 (1), S. 56 - 62 (2020)