
Publications of the MPI für Kohlenforschung
Journal Article (5238)
2025
Journal Article
Lang, L.; Chilkuri, V. G.; Neese, F. Treating Spin–Orbit Coupling and Spin–Spin Coupling in the Framework of the Iterative Configuration Expansion Selected CI. Journal of Chemical Theory and Computation 2025, 21, 6482–6504.
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Kappel, I.; ; Enabling the Terpyridine Ligand Motif for Ir-Based Solid Molecular Catalysts. EES Catalysis 2025, 3, 701–711.
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Kappel, I.; ; ; ; ; ; Leiting, S.; ; ; ; Weidenthaler, C. Exploring X-Ray Total Scattering and Pair Distribution Functions for Local Structure Analysis of Single-Atom Catalysts on Polymeric Supports. Materials Today Chemistry 2025, 47, 102776.
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Li, C.-C.; Adorján, Á.; Sofiadis, M.; Schulte, T.; Mateos, J.; Rippegarten, M.; Ritter, T. Nitrate Reduction for Deaminative Suzuki-Miyaura Coupling of Anilines. Angewandte Chemie International Edition 2025, 64, e202504012.
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Winkelmann, F.; Felderhoff, M.; ; ; Scalable Main Group Mechanocatalytic CO2 Valorisation to Cyclocarbonate Species. Angewandte Chemie International Edition 2025, 64, e202502584.
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Triller, S.; Winkelmann, F.; Schöbel, J.-H.; Felderhoff, M. Utilizing an Attritor Mill for Solvent-Free Mechanochemical Synthesis of Rac-Ibuprofen:Nicotinamide Co-Crystals. RSC Mechanochemistry 2025, 2, 538–543.
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De Bellis, J.; ; ; ; ; ; Schüth, F.; ; ; ; ; Mechanochemical Synthesis of Pt/TiO2 for Enhanced Stability in Dehydrogenation of Methylcyclohexane. Catalysis Science & Technology 2025.
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Wang, B.; Britschgi, J.; Tran, N. K.; ; ; ; ; Schüth, F. Recycling of Polyurethane Via Mechanocatalytic Methanolysis/Hydrolysis. ChemSusChem 2025, 18, e202500253.
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de Pedro Beato, E.; Torkowski, L.; Hartmann, P.; ; ; Ritter, T. On-DNA C–H Functionalization of Electron-Rich Arenes for DNA-Encoded Libraries. Nature Chemistry 2025.
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Liu, X.; Ortmeyer, J.; Bodach, A.; Petersen, H.; Felderhoff, M. Amine-AlH3 Adducts as Energetic Materials for a New Generation of Solid Fuels. Chemistry - A European Journal 2025, e202501163.
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Neese, F. Orbital Optimization of Large Active Spaces Via AI-Accelerators. Journal of Chemical Theory and Computation 2025.
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Chen, M.; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; Unveiling the Role of Guanidinium for Enhanced Charge Extraction in Inverted Perovskite Solar Cells. ACS Energy Letters 2025, 10, 2660–2669.
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Xie, Y.; Zhang, L.; Ritter, T. Late-Stage Cross-Electrophile Coupling of Arylthianthrenium Salts with (Hetero)Aryl (Pseudo)Halides Via Palladium Catalysis. Angewandte Chemie International Edition 2025, 64, e202502441.
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Dreschmann, J.; Schrader, W. Studying the Formation of Fullerenes During Catagenesis. Molecules 2025, 30, 2516.
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Drosou, M.; ; ; ; ; ; Pantazis, D. A.; ; Triplet Vinylidenes Based on (Benz)Imidazole and 1,2,3-Triazole N-Heterocycles. JACS Au 2025.
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Bai, Z.; Wang, Z.; Wong, T. H.-F.; Ritter, T. Thianthrenium-Enabled Modular Synthesis of Bicyclo[1.1.1]Pentanes. Nature Synthesis 2025.
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Song, Y.; Budiyanto, E.; Kumar, A.; ; Tüysüz, H. Prebiotic Interconversion of Pyruvate and Lactate over Zeolite-Supported Ni Catalyst. Angewandte Chemie International Edition 2025, 64, e202503747.
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Maganas, D.; Neese, F.; Coupling Experiment and Theory to Push the State-of-the-Art in X-Ray Spectroscopy. Nature Reviews Chemistry 2025.
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Mateos-Calbet, A.; ; Mermigki, M. A.; ; Pantazis, D. A.; Cornella, J. Rapid Oxygen Atom Transfer at a Catalysis-Relevant Ni(I)–Alkyl Complex with N2O. Journal of the American Chemical Society 2025.
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Wang, Y.; Feliciano, G. T.; Kumar, A.; Auer, A. A.; Tüysüz, H. Experimental and Theoretical Insights into the Role of Iron in the Rapidly Fabricated Ni/Fe Electrodes for the Oxygen Evolution Reaction. ChemSusChem 2025, e202500281.