Publikationen des MPI für Kohlenforschung

Magari, F.; Messner, H.; Salisch, F.; Schmelzle, S. M.; van Zandbergen, G.; Fürstner, A.; Ziebuhr, J.; Heine, A.; Müller-Ruttloff, C.; Grünweller, A. Potent anti-coronaviral activity of pateamines and new insights into their mode of action. Heliyon 2024, 10, e33409.

Pinto, C. B.; Wanderley, A. B.; Tenorio, J. C.; Camps, I.; Lehmann, C. W.; Ellena, J. Structural Properties and Charge Redistribution in Cocrystallized Pharmaceutical Ingredients: A Comparative Experimental and Theoretical Charge Density Analysis. Crystal Growth & Design 2024, 24, 5614–5626.

Leyser da Costa Gouveia, T.; Maganas, D.; Neese, F. Restricted Open-Shell Hartree–Fock Method for a General Configuration State Function Featuring Arbitrarily Complex Spin-Couplings. The Journal of Physical Chemistry A 2024, 128, 5041–5053.

Hollmann, F.; Sanchis Martinez, J.; Reetz, M. T. Learning from Protein Engineering by Deconvolution of Multi-Mutational Variants. Angewandte Chemie International Edition 2024, e202404880.

Schulte, T.; Wang, Z.; Li, C.-C.; Hamad, A.; Waldbach, F.; Pampel, J.; Petzold, R.; Leutzsch, M.; Bahns, F.; Ritter, T. Ruthenium Phenoxo Complexes: An Isolobal Ligand to Cp with Improved Properties. Journal of the American Chemical Society 2024, 146, 15825–15832.

Karam, L.; Farès, C.; Weidenthaler, C.; Neumann, C. N. Expedited Synthesis of Metal Phosphides Maximizes Dispersion, Air Stability, and Catalytic Performance in Selective Hydrogenation. Angewandte Chemie International Edition 2024, e202404292.

Belthle, K. S.; Martin, W. F.; Tüysüz, H. Synergistic Effects of Silica-Supported Iron−Cobalt Catalysts for CO₂ Reduction to Prebiotic Organics. ChemCatChem 2024, 16, e202301218.

Hamad, A.; Mrozowicz, M.; Xie, Y.; Ritter, T. Regioselective Double C–H Functionalization of Arenes via Aryl Thianthrenium Salt Analogues. Synlett 2024, 35, 1028–1032.

Spinnato, D.; Leutzsch, M.; Wang, F.; Cornella, J. Internal Atom Exchange in Oxazole Rings: A Blueprint for Azole Scaffold Evaluation. Synlett 2024, 35, 1015–1018.

Lee, J.; Kumar, A.; Tüysüz, H. Solar-Light-Driven Photocatalytic Oxidative Coupling of Phenol Derivatives over Bismuth-Based Porous Metal Halide Perovskites. Angewandte Chemie International Edition 2024, 63, e202404496.

Cao, Z.; Habermann, F.; Burkmann, K.; Felderhoff, M.; Mertens, F. Unstable Metal Hydrides for Possible On-Board Hydrogen Storage. Hydrogen 2024, 5, 241–279.

Ni, S.; Halder, R.; Ahmadli, D.; Reijerse, E. J.; Cornella, J.; Ritter, T. C–heteroatom coupling with electron-rich aryls enabled by nickel catalysis and light. Nature Catalysis 2024, 7, 733–741.

Seidel, R. W.; Goddard, R.; Lang, M.; Richter, A. Nα-Aroyl-N-Aryl-Phenylalanine Amides: A Promising Class of Antimycobacterial Agents Targeting the RNA Polymerase. Chemistry and Biodiversity 2024, 21, e202400267.

Bhattacharjee, S.; Arra, S.; Daidone, I.; Pantazis, D. A. Excitation landscape of the CP43 photosynthetic antenna complex from multiscale simulations. Chemical Science 2024, 15, 7269–7284.

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, 15, 7767–7780.

Wang, Z.; Zhang, Z.; Wu, C.; Wang, Z.; Liu, W. Pushing the Limit of Photo-Controlled Polymerization: Hyperchromic and Bathochromic Effects. Molecules 2024, 29, 2377.

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.