Korber, J. N.; Wille, C.; Leutzsch, M.; Fürstner, A.: From the Glovebox to the Benchtop: Air-Stable High Performance Molybdenum Alkylidyne Catalysts for Alkyne Metathesis. Journal of the American Chemical Society 145 (49), S. 26993 - 27009 (2023)

Gunnarson, A.; Quast, T.; Dieckhöfer, S.; Pfänder, N.; Schüth, F.; Schuhmann, W.: Stability Investigations on a Pt@HGS Catalyst as a Model Material for Fuel Cell Applications: The Role of the Local pH. Angewandte Chemie International Edition 62 (50), e202311780 (2023)

Bai, Z.; Lansbergen, B.; Ritter, T.: Bicyclopentylation of Alcohols with Thianthrenium Reagents. Journal of the American Chemical Society 145 (48), S. 25954 - 25961 (2023)

Schumann, S. L.; Kotnig, S.; Kutin, Y.; Drosou, M.; Stratmann, L. M.; Streltsova, Y.; Schnegg, A.; Pantazis, D. A.; Clever, G. H.; Kasanmascheff, M.: Structure and Flexibility of Copper-Modified DNA G-Quadruplexes Investigated by ¹⁹F ENDOR Experiments at 34 GHz. Chemistry – A European Journal 29 (68), e202302527 (2023)

Bilican, A.; Sharma, P.; Tran, N. K.; Weidenthaler, C.; Schmidt, W.: Superfast Synthesis of Carbon Xerogels. ACS Omega 8 (48), S. 45599 - 45605 (2023)

Kim, J.; Müller, S.; Ritter, T.: Synthesis of α-Branched Enones via Chloroacylation of Terminal Alkenes. Angewandte Chemie International Edition 62 (49), e202309498 (2023)

Moon, H. W.; Wang, F.; Bhattacharyya, K.; Planas, O.; Leutzsch, M.; Nöthling, N.; Auer, A. A.; Cornella, J.: Mechanistic Studies on the Bismuth-Catalyzed Transfer Hydrogenation of Azoarenes. Angewandte Chemie International Edition 62 (49), e202313578 (2023)

Richter, A.; Goddard, R.; Imming, P.; Seidel, R. W.: Crystal structure and antimycobacterial evaluation of 2-(cyclohexylmethyl)-7-nitro-5-(trifluoromethyl)- benzo[d]isothiazol-3(2H)-one. Acta Crystallographica , Section E: Crystallographic Communications 79 (12), S. 1194 - 1198 (2023)

Stylianakis, I.; Zervos, N.; Lii, J.-H.; Pantazis, D. A.; Kolocouris, A.: Conformational energies of reference organic molecules: benchmarking of common efficient computational methods against coupled cluster theory. Journal of Computer-Aided Molecular Design 37, S. 607 - 656 (2023)

Chrysina, M.; Drosou, M.; Castillo, R. G.; Reus, M.; Neese, F.; Krewald, V.; Pantazis, D. A.; DeBeer, S.: Nature of S-States in the Oxygen-Evolving Complex Resolved by High-Energy Resolution Fluorescence Detected X-ray Absorption Spectroscopy. Journal of the American Chemical Society 145 (47), S. 25579 - 25594 (2023)

Tsuruta, T.; Spinnato, D.; Moon, H. W.; Leutzsch, M.; Cornella, J.: Bi-Catalyzed Trifluoromethylation of C(sp²)–H Bonds under Light. Journal of the American Chemical Society 145 (47), S. 25538 - 25544 (2023)

Wang, Y.; Guo, Y.; Neese, F.; Valeev, E. F.; Li, W.; Li, S.: Cluster-in-Molecule Approach with Explicitly Correlated Methods for Large Molecules. Journal of Chemical Theory and Computation 19 (22), S. 8076 - 8089 (2023)

Hamad, A.; Mrozowicz, M.; Xie, Y.; Ritter, T.: Regioselective Double C–H Functionalization of Arenes via Aryl Thianthrenium Salt Analogues. Synlett 34, S. A - E (2023)

Peng, W.; Wang, Z.; Zhang, Q.; Yan, S.; Wang, B.: Unraveling the Valence State and Reactivity of Copper Centers in Membrane-Bound Particulate Methane Monooxygenase. Journal of the American Chemical Society 145 (46), S. 25304 - 25317 (2023)

Qiu, G.; Schreiner, P. R.: The Intrinsic Barrier Width and Its Role in Chemical Reactivity. ACS Central Science 9 (11), S. 2129 - 2137 (2023)

Neugebauer, H.; Pinski, P.; Grimme, S.; Neese, F.; Bursch, M.: Assessment of DLPNO-MP2 Approximations in Double-Hybrid DFT. Journal of Chemical Theory and Computation 19 (21), S. 7695 - 7703 (2023)

Wang, X.; Wu, C.; Wang, Z.; Liu, W.: When do tripdoublet states fluoresce? A theoretical study of copper(II) porphyrin. Frontiers in Chemistry 11, 1259016 (2023)

Gallus, S.; Weidenthaler, C.: Systematic in situ Investigation of the Formation of NH₃ Cracking Catalysts from Precursor Perovskites ABO₃ (A=La,Ca,Sr and B=Fe,Co,Ni) and their Catalytic Performance. ChemCatChem 15 (21), e202300947 (2023)

Sirohiwal, A.; Pantazis, D. A.: Reaction Center Excitation in Photosystem II: From Multiscale Modeling to Functional Principles. Accounts of Chemical Research 56 (21), S. 2921 - 2932 (2023)

Hou, K.; Börgel, J.; Jiang, H. Z. H.; SantaLucia, D. J.; Kwon, H.; Zhuang, H.; Chakrawet, K.; Rohde, R. C.; Taylor, J. W.; Dun, C. et al.; Paley, M. V.; Turkiewicz, A. B.; Park, J. G.; Mao, H.; Zhu, Z.; Alp, E. E.; Zhao, J.; Hu, M. Y.; Lavina, B.; Peredkov, S.; Lv, X.; Oktawiec, J.; Meihaus, K. R.; Pantazis, D. A.; Vandone, M.; Colombo, V.; Bill, E.; Urban, J. J.; Britt, R. D.; Grandjean, F.; Long, G. J.; DeBeer, S.; Neese, F.; Reimer, J. A.; Long, J. R.: Reactive high-spin iron(IV)-oxo sites through dioxygen activation in a metal–organic framework. Science 382 (6670), S. 547 - 553 (2023)