Publications of the MPI für Kohlenforschung

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.
Journal Article
Birkelbach, K. V. A.; Hartmann, H.; Besmehn, A.; Meledin, A.; Kappel, I.; Hausoul, P. J. C.; Palkovits, R. Enabling the Terpyridine Ligand Motif for Ir-Based Solid Molecular Catalysts. EES Catalysis 2025, 3, 701–711.
Journal Article
Kappel, I.; Terban, M. W.; Vennewald, M.; Sackers, N. M.; Iemhoff, A.; Baums, J. C.; Leiting, S.; Etter, M.; Hausoul, P. J. C.; Palkovits, R.; 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.
Journal Article
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.
Journal Article
Reynes, J. F.; Álvarez-Miguel, L.; Winkelmann, F.; Felderhoff, M.; Mosquera, M. E. G.; Whiteoak, C. J.; García, F. Scalable Main Group Mechanocatalytic CO2 Valorisation to Cyclocarbonate Species. Angewandte Chemie International Edition 2025, 64, e202502584.
Journal Article
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.
Journal Article
Kuutti, K.; Ghosalya, M. K.; Porri, P.; De Bellis, J.; Jokimies, P.; Singh, H.; Wang, S.; King, G.; Fernández-Catalá, J.; Schüth, F.; Ainassaari, K.; Huuhtanen, M.; Huutula, M.; Urpelainen, S.; Rautiainen, S. Mechanochemical Synthesis of Pt/TiO2 for Enhanced Stability in Dehydrogenation of Methylcyclohexane. Catalysis Science & Technology 2025.
Journal Article
Wang, B.; Britschgi, J.; Tran, N. K.; Jevtovikj, I.; Ingale, P.; Mai, C.; Schunk, S. A.; Schüth, F. Recycling of Polyurethane Via Mechanocatalytic Methanolysis/Hydrolysis. ChemSusChem 2025, 18, e202500253.
Journal Article
de Pedro Beato, E.; Torkowski, L.; Hartmann, P.; Vogelsang, L.; Dietz, K.-J.; Ritter, T. On-DNA C–H Functionalization of Electron-Rich Arenes for DNA-Encoded Libraries. Nature Chemistry 2025.
Journal Article
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.
Journal Article
Legeza, Ö.; Menczer, A.; Ganyecz, Á.; Werner, M. A.; Kapás, K.; Hammond, J.; Xantheas, S. S.; Ganahl, M.; Neese, F. Orbital Optimization of Large Active Spaces Via AI-Accelerators. Journal of Chemical Theory and Computation 2025.
Journal Article
Xu, W.; Min, G.; Kosasih, F. U.; Dong, Y.; Ge, Z.; Gu, Q.; Chen, M.; Pacalaj, R. A.; Wang, T.; Webb, T.; Du, T.; Righetto, M.; He, G.; Hillenius, M.; von Hauff, E.; Divitini, G.; Ducati, C.; McLachlan, M. A.; Cacialli, F.; Haque, S. A.; Bakulin, A. A.; Durrant, J. R.; Lin, C.-T.; Stranks, S. D.; Macdonald, T. J. Unveiling the Role of Guanidinium for Enhanced Charge Extraction in Inverted Perovskite Solar Cells. ACS Energy Letters 2025, 10, 2660–2669.
Journal Article
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.
Journal Article
Dreschmann, J.; Schrader, W. Studying the Formation of Fullerenes During Catagenesis. Molecules 2025, 30, 2516.
Journal Article
Kutin, Y.; Reitz, J.; Drosou, M.; Antoni, P. W.; He, Y.; Selve, V. R.; Boschmann, S.; Savitsky, A.; Pantazis, D. A.; Kasanmascheff, M.; Hansmann, M. M. Triplet Vinylidenes Based on (Benz)Imidazole and 1,2,3-Triazole N-Heterocycles. JACS Au 2025.
Journal Article
Bai, Z.; Wang, Z.; Wong, T. H.-F.; Ritter, T. Thianthrenium-Enabled Modular Synthesis of Bicyclo[1.1.1]Pentanes. Nature Synthesis 2025.
Journal Article
Song, Y.; Budiyanto, E.; Kumar, A.; Landrot, G.; Tüysüz, H. Prebiotic Interconversion of Pyruvate and Lactate over Zeolite-Supported Ni Catalyst. Angewandte Chemie International Edition 2025, 64, e202503747.
Journal Article
Mathe, Z.; Maganas, D.; Neese, F.; DeBeer, S. Coupling Experiment and Theory to Push the State-of-the-Art in X-Ray Spectroscopy. Nature Reviews Chemistry 2025.
Journal Article
Mateos-Calbet, A.; Bruzzese, P. C.; Mermigki, M. A.; Schnegg, 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.
Journal Article
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.
Go to Editor View