Qiu, G.; Schreiner, P. R. The Intrinsic Barrier Width and Its Role in Chemical Reactivity. ACS Central Science 2023, 9, 2129–2137.

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 2023, 19, 7695–7703.

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

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 2023, 15, e202300947.

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

Gunnarson, A.; Bongard, H.-J.; Schüth, F. Insights into the Ionomer Distribution through Elemental Mapping of Model Catalysts Mixed with Nafion. Journal of the Electrochemical Society 2023, 170, 114506.

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.; 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 2023, 382, 547–553.

Chen, H.; Zhou, Y.; Lei, P.; Wang, H.; Yan, Q.; Properzi, R.; Wang, W.; Jing, L.; Chen, F. Visible-light-driven intramolecular xanthylation of remote unactivated C(sp³)-H bonds. Green Synthesis and Catalysis 2023, 4, 350–354.

Halder, R.; Ma, G.; Rickmeier, J.; McDaniel, J. W.; Petzold, R.; Neumann, C. N.; Murphy, J. M.; Ritter, T. Deoxyfluorination of phenols for chemoselective ¹⁸F-labeling of peptides. Nature Protocols 2023, 18, 3614–3651.

List, B. Enthusiasm, Guiding the Way to Universal Catalysts? Journal of Synthetic Organic Chemistry, Japan 2023, 81, 1019–1019.

Depenbrock, F.; Limpke, T.; Bill, E.; SantaLucia, D. J.; van Gastel, M.; Walleck, S.; Oldengott, J.; Stammler, A.; Bögge, H.; Glaser, T. Reactivities and Electronic Structures of μ-1,2-Peroxo and μ-1,2-Superoxo Co^IIICo^III Complexes: Electrophilic Reactivity and O₂ Release Induced by Oxidation. Inorganic Chemistry 2023, 62, 17913–17930.

Kim, J. Y.; Davies, T. Q.; Fürstner, A. Aminoalcohol derivatives by nickel-catalyzed enantioselective coupling of imines and dienol ethers. Chemical Communications 2023, 59, 12613–12616.

Peeters, M.; Decaens, J.; Fürstner, A. Taming of Furfurylidenes by Chiral Bismuth-Rhodium Paddlewheel Catalysts. Preparation and Functionalization of Optically Active 1,1-Disubstituted (Trifluoromethyl)cyclopropanes. Angewandte Chemie International Edition 2023, 62, e202311598.

Kotrle, K.; Atanasov, M.; Neese, F.; Herchel, R. Theoretical Magnetic Relaxation and Spin–Phonon Coupling Study in a Series of Molecular Engineering Designed Bridged Dysprosocenium Analogues. Inorganic Chemistry 2023, 62, 17499–17509.

Wolff, N.; Loza, K.; Heggen, M.; Schaller, T.; Niemeyer, F.; Bayer, P.; Beuck, C.; Oliveira, C. L. P.; Prymak, O.; Weidenthaler, C.; Epple, M. Ultrastructure and Surface Composition of Glutathione-Terminated Ultrasmall Silver, Gold, Platinum, and Alloyed Silver–Platinum Nanoparticles (2 nm). Inorganic Chemistry 2023, 62, 17470–17485.

Gui, C.; Peng, Y.; Zhou, Y.; Zheng, Y.; Wang, H.; Yan, Q.; Zhou, H.; Wang, W.; Chen, F.-E. Cu-Catalyzed Intermolecular Asymmetric Propargylic Substitution of N-Hydroxyphthalimide Esters with Propargyl Carbonates. ACS Catalysis 2023, 13, 13735–13742.

Singh, V. K.; Zhu, C.; De, C. K.; Leutzsch, M.; Baldinelli, L.; Mitra, R.; Bistoni, G.; List, B. Taming secondary benzylic cations in catalytic asymmetric S_N1 reactions. Science 2023, 382, 325–329.

Palme, P. R.; Goddard, R.; Leutzsch, M.; Richter, A.; Imming, P.; Seidel, R. W. Structural Elucidation of the Triethylammonium Betaine of Squaric Acid. Molbank 2023, 2023, M1737.

Harden, I.; Neese, F.; Bistoni, G. Dimerization of confined Brønsted acids in enantioselective organocatalytic reactions. Chemical Science 2023, 14, 10580–10590.

Sofiadis, M.; Xu, D.; Rodriguez, A. J.; Nissl, B.; Clementson, S.; Nasser Petersen, N.; Baran, P. S. Convergent Total Synthesis of (−)-Cyclopamine. Journal of the American Chemical Society 2023, 145, 21760–21765.