Wissenschaftliche Publikationen

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 16 (17), S. 21997 - 22006 (2024)

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)

Pesara, P.; Szafran, K.; Nguyen, H. C.; Sirohiwal, A.; Pantazis, D. A.; Gabruk, M.: Elucidating substrate binding in the light-dependent protochlorophyllide oxidoreductase. Chemical Science (2024)

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 384 (6694), S. 446 - 452 (2024)

Qiu, Z.; Deng, H.; Neumann, C. N.: Site-Isolated Rhodium(II) Metalloradicals Catalyze Olefin Hydrofunctionalization. Angewandte Chemie International Edition 63 (18), e202401375 (2024)

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 63 (16), S. 7386 - 7400 (2024)

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 7 (8), S. 3145 - 3156 (2024)

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. et al.; Zhang, F.-G.: Enzymatic Stereodivergent Access to Fluorinated β-Lactam Pharmacophores via Triple-Parameter Engineered Ketoreductases. ACS Catalysis 14 (8), S. 6358 - 6368 (2024)

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)

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 48 (14), S. 6132 - 6141 (2024)

Ansari, M.; Bhattacharjee, S.; Pantazis, D. A.: Correlating Structure with Spectroscopy in Ascorbate Peroxidase Compound II. Journal of the American Chemical Society 146 (14), S. 9640 - 9656 (2024)

Bhattacharjee, S.; Arra, S.; Daidone, I.; Pantazis, D. A.: Excitation landscape of the CP43 photosynthetic antenna complex from multiscale simulations. Chemical Science (2024)

Qiao, Y.; Shi, E.; Wei, X.; Hou, Z.: Ionic liquid-stabilized metal oxoclusters: from design to catalytic application. Green Chemistry (2024)

Cai, Y.; Gaurav, G.; Ritter, T.: 1,4-Aminoarylation of Butadienes via Photoinduced Palladium Catalysis. Angewandte Chemie International Edition 63 (14), e202311250 (2024)

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 63 (14), e202317038 (2024)

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 16 (4), S. 651 - 657 (2024)

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 (3), 202312158 (2024)

Lococciolo, G.; Guptka, S. K.; Dechert, S.; Demeshko, S.; Duboc, C.; Atanasov, M.; Neese, F.; Meyer, F.: Oxygen-Donor Metalloligands Induce Slow Magnetization Relaxation in Zero Field for a Cobalt(II) Complex with {CoO4} Motif. Inorganic Chemistry 63 (12), S. 5652 - 5663 (2024)

Bodach, A.; Portet, A.; Winkelmann, F.; Herrmann, B.; Gallou, F.; Ponnusamy, E.; Virieux, D.; Colacino, E.; Felderhoff, M.: Scalability of Pharmaceutical Co-Crystal Formation by Mechanochemistry in batch. ChemSusChem 17 (6), e202301220 (2024)