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Onur, E.; Lee, J.; Aymerich-Armengol, R.; Lim, J.; Dai, Y.; Tüysüz, H.; Scheu, C.; Weidenthaler, C. Exploring the Effects of the Photochromic Response and Crystallization on the Local Structure of Noncrystalline Niobium Oxide. ACS Applied Materials and Interfaces 2024, 16, 25136–25147.

Gasevic, T.; Bursch, M.; Ma, Q.; Grimme, S.; Werner, H.-J.; Hansen, A. The p-block challenge: assessing quantum chemistry methods for inorganic heterocycle dimerizations. Physical Chemistry Chemical Physics 2024, 26, 13884–13908.

Kaur, H.; Rauscher, S. A.; Werner, E.; Song, Y.; Yi, J.; Kazöne, W.; Martin, W. F.; Tüysüz, H.; Moran, J. A prebiotic Krebs cycle analog generates amino acids with H₂ and NH₃ over nickel. Chem 2024, 10, 1528–1540.

Bistoni, G.; Altun, A.; Wang, Z.; Neese, F. Local Energy Decomposition Analysis of London Dispersion Effects: From Simple Model Dimers to Complex Biomolecular Assemblies. Accounts of Chemical Research 2024, 57, 1411–1420.

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Rütter, D.; van Gastel, M.; Leutzsch, M.; Nöthling, N.; SantaLucia, D.; Neese, F.; Fürstner, A. Molybdenum(VI) Nitrido Complexes with Tripodal Silanolate Ligands. Structure and Electronic Character of an Unsymmetrical Dimolybdenum μ-Nitrido Complex Formed by Incomplete Nitrogen Atom Transfer. Inorganic Chemistry 2024, 63, 8376–8389.

Cheraparambil, H.; Vega-Paredes, M.; Scheu, C.; Weidenthaler, C. Unraveling the Evolution of Dynamic Active Sites of LaNi_xFe_1–xO₃ Catalysts During OER. ACS Applied Materials and Interfaces 2024, 16, 21997–22006.

Mateos, J.; Schulte, T.; Behera, D.; Leutzsch, M.; Altun, A.; Sato, T.; Waldbach, F.; Schnegg, A.; Neese, F.; Ritter, T. Nitrate reduction enables safer aryldiazonium chemistry. Science 2024, 384, 446–452.

Qiu, Z.; Deng, H.; Neumann, C. N. Site-Isolated Rhodium(II) Metalloradicals Catalyze Olefin Hydrofunctionalization. Angewandte Chemie International Edition 2024, 63, e202401375.

Van Stappen, C.; Van Kuiken, B. E.; Mörtel, M.; Ruotsalainen, K. O.; Maganas, D.; Khusniyarov, M. M.; DeBeer, S. Correlating Valence and 2p3d RIXS Spectroscopies: A Ligand-Field Study of Spin-Crossover Iron(II). Inorganic Chemistry 2024, 63, 7386–7400.

Wang, Y.; Kumar, A.; Budiyanto, E.; Cheraparambil, H.; Weidenthaler, C.; Tüysüz, H. Boron-Incorporated Cobalt–Nickel Oxide Nanosheets for Electrochemical Oxygen Evolution Reaction. ACS Applied Energy Materials 2024, 7, 3145–3156.

Mei, Z.-L.; Li, C.-C.; Han, X.; Tian, Y.-C.; Li, S.-H.; Liu, W.; Qu, G.; Reetz, M. T.; Sun, Z.; Ma, J.-A.; Zhang, F.-G. Enzymatic Stereodivergent Access to Fluorinated β-Lactam Pharmacophores via Triple-Parameter Engineered Ketoreductases. ACS Catalysis 2024, 14, 6358–6368.

Qiu, G. Exceptions, Paradoxes, and Their Resolutions in Chemical Reactivity. ChemRxiv: the Preprint Server for Chemistry 2024.

Yadav, O.; Kumar, M.; Mohapatra, R. K.; Gupta, M. K.; Ansari, M.; Ansari, A. Mechanistic insights on the epoxidation of alkenes by high-valent non-heme Fe(IV) and Fe(V) oxidants: a comparative theoretical study. New Journal of Chemistry 2024, 48, 6132–6141.

Ansari, M.; Bhattacharjee, S.; Pantazis, D. A. Correlating Structure with Spectroscopy in Ascorbate Peroxidase Compound II. Journal of the American Chemical Society 2024, 146, 9640–9656.

Cai, Y.; Gaurav, G.; Ritter, T. 1,4-Aminoarylation of Butadienes via Photoinduced Palladium Catalysis. Angewandte Chemie International Edition 2024, 63, e202311250.

Reichle, S.; Kang, L.; Demirbas, D.; Weidenthaler, C.; Felderhoff, M.; DeBeer, S.; Schüth, F. Mechanocatalytic Synthesis of Ammonia: State of the Catalyst During Reaction and Deactivation Pathway. Angewandte Chemie International Edition 2024, 63, e202317038.

Schulte, Y.; Wölper, C.; Rupf, S. M.; Malischewski, M.; SantaLucia, D. J.; Neese, F.; Haberhauer, G.; Schulz, S. Structural characterization and reactivity of a room-temperature-stable, antiaromatic cyclopentadienyl cation salt. Nature Chemistry 2024, 16, 651–657.

Büker, J.; Shang, J.; Angel, S.; Budiyanto, E.; Tüysüz, H.; Wiggers, H.; Schulz, C.; Grünewald, M.; Peng, B.; Muhler, M. Tert-butyl hydroperoxide decomposition as a descriptor for liquid-phase hydrocarbon oxidation over transition metal oxide-based catalysts: a screening study (GH-12158WP). ARKIVOC 2024, 2024, 202312158.