Publications of the MPI für Kohlenforschung

Mandal, N.; Qiu, G. From Absolute Barriers to Responsiveness: How London Dispersion Modulates Kinetic-Thermodynamic Relationships. Chem 2026, 103004.

Sidiropoulos, C.; Ternieden, J.; Leiting, S.; Weidenthaler, C. In Situ Structural Evolution of Sr-Promoted Perovskite Catalysts During Ammonia Decomposition. ChemCatChem 2026, 18, e01731.

Bai, Z.; Ritter, T. Thianthrenium Salts in Photochemistry. Accounts of Chemical Research 2026, 59, 915–931.

Deng, H.; Bengsch, M.; Farès, C.; Qiu, Z.; Henglin, M.; Neumann, C. N. Solid-State NMR Provides Location-Specific Information on the Chemical Environment Inside MOF Pores. Chem 2026, 102949.

Emmert, J. M.; Rust, J.; Lehmann, C. W.; Schneider, J. J. Zero Valent Iron and Nickel Coordination Chemistry: Metal Atoms as Direct Approach to bis(Benzene)Chromium Bridged N-Heterocyclic Silylene Complexes. Dalton Transactions 2026, 55, 4657–4663.

Schmerwitz, Y. L. A.; Selenius, E.; Levi, G. Freeze-and-Release Direct Optimization Method for Variational Calculations of Excited Electronic States. Journal of Chemical Theory and Computation 2026.

Fortunato, G. V.; Gunnarson, A. P.; Hosseini, H.; You, X.; Bhuyan, P.; Choi, J. S.; Jeon, H. S.; Zhao, X.; Lourenço, J. C.; Lim, S.; Wang, H.; Buzanich, A. G.; Radtke, M.; Paciok, P.; Lanza, M. R. V.; Schüth, F.; Ledendecker, M. Stabilizing Cationic Palladium Single-Atom Sites on Heteroatom-Doped Carbon for Selective Hydrogen Peroxide Electrosynthesis. Advanced Functional Materials 2026, 36, e16600.

Faber, T.; Leutzsch, M.; Nöthling, N.; Cornella, J. From Boron to Bismuth: The Pre-Transmetalation Complex in the Aryl Transfer. Journal of the American Chemical Society 2026, 148, 9205–9212.

Vogiatzis, K. D.; Corminboeuf, C.; Nova, A.; Jorner, K.; Kästner, J.; Meuwly, M.; Schwaller, P.; Böttcher, V.; Drosou, M.; Fako, E.; Hoppe, H.; Ivkovic, Z.; Iwanojko, N.; Pantazis, D. A.; Schmid, S. P.; Szenes, K.; Tetenoire, A.; Reiher, M. Boosting Computational Catalysis and Chemical Reactivity with Artificial Intelligence. Journal of the American Chemical Society 2026, 148, 9143–9155.

Taipe Huisa, A. J.; Michaelis, V.; Gremme, A.; Niehaus, P.; Karst, U.; Lindenbeck, L. M.; Slabon, A.; Lehmann, C. W.; Dursun, G.; Delaittre, G.; Monserrat, J. M.; Bornhorst, J. The Accumulation and Distribution of Green Synthesized Silver Nanoparticles with Açaí in C. Elegans Do Not Cause Redox Toxicity. BULLETIN OF ENVIRONMENTAL CONTAMINATION AND TOXICOLOGY 2026, 116, 63.

Omranpour, A.; Kämmerer, L.; Leiva-Leroy, C.; Rabe, A.; Sato, T.; Salamon, S.; Landers, J.; Eggert, B.; Weschke, E.; Fandré, J. P.; Kumar, A.; Tüysüz, H.; Muhler, M.; Wende, H.; Behler, J. A Combined Theoretical and Experimental Study of Oxygen Vacancies in Co₃O₄ for Liquid-Phase Oxidation Catalysis. The Journal of Physical Chemistry C 2026, 130, 3277–3286.

Cui, M.; Fürstner, A. A Convenient, Safe, and Atom-Economical Route to a Large Portfolio of Grubbs-Type Catalysts for Olefin Metathesis Via Four-Coordinate Ruthenium Alkylidynes. Angewandte Chemie International Edition 2026, e6803845.

Wang, C.; Dai, Y.; Zhong, X.; Zhang, W.; Chen, Z.; Liu, C.; Ji, Y.; Hu, S.; Kostis, A.; Schlüter, A.; Budiyanto, E.; Zhang, B.; Pao, C.-W.; Chen, Y.; Baum, F.; Johny, J.; Li, X.; Jiang, Q.; Peng, H.-J.; Liu, X.; Zeng, J.; Zheng, T.; Xia, C. Soluble-Salt-Induced Embedding of Metal Catalysts into Gas Diffusion Electrodes for Electrochemical CO₂ Reduction to Formate. ACS Materials Letters 2026, 8, 836–833.

Blois, L.; Longo, R. L.; Carneiro Neto, A. N.; Faustino, W. M.; Moura Jr., R. T.; Felinto, M. C. F. C.; Brito, H. F.; Malta, O. L. A Derivation of Judd-Ofelt Theory by Second Quantization of Configuration Interaction. Journal of Luminescence 2026, 291, 121699.

Koehler, T.; Marlow, F. Photo-Alignment Kinetics of Azobenzene in the Nanopores of the Metal-Organic Framework HKUST-1. Journal of Photochemistry and Photobiology A: Chemistry 2026, 472, 116855.

Roh, B.; Cornella, J. Desaturation of Amides Via Bismuth Photocatalysis. Synthesis 2026, 58, 516–520.

Jansen, S.; Röhs, F. L. B.; Zimmermann, T. P.; Walleck, S.; van Gastel, M.; Tamhankar, A.; Zhang, B.; Jannuzzi, S. A. V.; Kellner, I.; Ivanović-Burmazović, I.; DeBeer, S.; Glaser, T. Formation Pathways of an Electrophilic μ-1,2-Peroxo Fe^IIIFe^III Complex: Spectroscopic Characterization and Reactivity. Journal of the American Chemical Society 2026, 148, 7065–7083.

Webb, C. J.; Humphries, T. D.; Teprovich, J. A.; Polanski, M.; Heere, M.; Li, H.-W.; Felderhoff, M.; Filinchuk, Y.; Dornheim, M.; Paskevicius, M.; Buckley, C. E.; Jensen, T. R. Diverse Hydrogen Chemistry with Perspectives for Energy Storage. Chemical Communications 2026, 62, 4477–4495.

Liu, X.; Moon, H. W.; Cornella, J. Reduction of Nitroarenes to Anilines with an Air-Stable Bismuth Catalyst. Synthesis 2026.

Chen, H.; van Gastel, M.; Schnegg, A.; Neese, F. Bridging Vibrations and Spins: Mode-Resolved Spin–Phonon Coupling Revealed through THz EPR/Magnetic IR Simulation. The Journal of Physical Chemistry A 2026, 130, 1486–1500.