Publikationen des MPI für Kohlenforschung

Gui, X.; Auer, A. A. Electronic Structure Simulations of the Platinum/Support/Ionomer Interface in Proton Exchange Membrane Fuel Cells. Fuel Cells: from Fundamentals to Systems 2025, 25, e202400117.

Babón Molina, J. C.; Renken, L.; Leutzsch, M.; Molina Betancourt, R.; Fürstner, A. Asymmetric gem-Hydroboration and gem-Hydrogenation of Ynamides: A New Gateway to Chiral Fischer Carbene Complexes and their Catalytic Transformations. Angewandte Chemie International Edition 2025, 64, e202424212.

Faber, T.; Engelhardt, S.; Cornella, J. Aryl Silicon Nucleophiles in Bismuth Catalysis. Angewandte Chemie International Edition 2025, 64, e202424698.

Kamatsos, F.; Drosou, M.; Zarkadoulas, A.; Bethanis, K.; Mitsopoulou, C. A. Enhanced Homogeneous Photocatalytic Hydrogen Evolution in a Binuclear Bio-Inspired Ni-Ni Complex Bearing Phenanthroline and Sulfidophenolate Ligands. Chemistry – A European Journal 2025, 31, e202404396.

Altun, A.; Leach, I. F.; Neese, F.; Bistoni, G. A Generally Applicable Method for Disentangling the Effect of Individual Noncovalent Interactions on the Binding Energy. Angewandte Chemie International Edition 2025, 64, e202421922.

Baums, J. C.; Kappel, I.; Meise, A.; Heggen, M.; Weidenthaler, C.; Hausoul, P. J. C.; Palkovits, R. Additive-Free, Aqueous CO₂ Hydrogenation with Ru/Polyphosphine-Based Solid Molecular Catalysts. ChemCatChem 2025, e202402048.

Neese, F.; Colinet, P.; DeSouza, B.; Helmich-Paris, B.; Wennmohs, F.; Becker, U. The “Bubblepole” (BUPO) Method for Linear-Scaling Coulomb Matrix Construction with or without Density Fitting. The Journal of Physical Chemistry A 2025, 129, 2618–2637.

Schmerwitz, Y. L. A.; Thirion, L.; Levi, G.; Jónsson, E. Ö.; Bilous, P.; Jónsson, H.; Hansmann, P. Neural-Network-Based Selective Configuration Interaction Approach to Molecular Electronic Structure. Journal of Chemical Theory and Computation 2025, 21, 2301–2310.

Mermigki, M. A.; Drosou, M.; Pantazis, D. A. On the nature of high-spin forms in the S₂ state of the oxygen-evolving complex. Chemical Science 2025, 16, 4023–4047.

Fiorucci, L.; Ravera, E. Not Just Another Crystal Field Software. Journal of Computational Chemistry 2025, 46, e70063.

Frank, N.; Leutzsch, M.; List, B. Bro̷nsted Acid-Catalyzed Reduction of Furans. Journal of the American Chemical Society 2025, 147, 7932–7938.

O'Reilly, A.; Booth, A. M. S.; Smith, G. W. A.; Evans, M. J.; Lim, L. F.; Pantazis, D. A.; Cox, N.; McMullin, C. L.; Fulton, J. R.; Coles, M. P. Reaction of a Potassium Aluminyl with Sn[N(SiMe₃)₂]₂ - Isolation of a Stable, Trimetallic Sn(I) Radical Anion. Chemistry – A European Journal 2025, e202500358.

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.

Hutchings, G. J.; Williams, J.; Kitching, E.; Patel, R.-S.; Mauß, J. M.; Kley, K. S.; Khobragade, R.; De Bellis, J.; Morgan, D.; Slater, T.; Schüth, F.; Taylor, S.; Dummer, N.; Bender, M. The influence of reaction conditions on selective acetylene hydrogenation over sol immobilisation prepared AgPd/Al₂O₃ catalysts. ChemCatChem 2025, e202401794.

Kutin, Y.; Koike, T.; Drosou, M.; Schnegg, A.; Pantazis, D. A.; Kasanmascheff, M.; Hansmann, M. M. Ph₃PC – A Monosubstituted C(0) Atom in Its Triplet State. Angewandte Chemie International Edition 2025, 64, e202424166.

Reinhard, D. L.; Iniutina, A.; Reese, S.; Shaw, T.; Merten, C.; List, B.; Huber, S. M. Asymmetric Counteranion-Directed Halogen Bonding Catalysis. Journal of the American Chemical Society 2025.

Souilah, C.; Jannuzzi, S. A. V.; Becker, F. J.; Demirbas, D.; Jenisch, D.; Ivlev, S.; Xie, X.; Peredkov, S.; Lichtenberg, C.; DeBeer, S.; Casitas, A. Synthesis of Iron(IV) Alkynylide Complexes and Their Reactivity to Form 1,3-Diynes. Angewandte Chemie International Edition 2025, 64, e202421222.

Schmidt, W.; Losch, P.; Petersen, H.; Etter, M.; Baum, F.; Ternieden, J.; Weidenthaler, C. Pressure as the driving force for mechanochemical reactions on the example of ion metathesis of alkali halides upon ball milling. RSC Mechanochemistry 2025, 2, 273–284.

Schöbel, J.-H.; Winkelmann, F.; Bicker, J.; Felderhoff, M. Mechanochemical kilogram-scale synthesis of rac-ibuprofen:nicotinamide co-crystals using a drum mill. RSC Mechanochemistry 2025, 2, 224–229.

Sun, Q.; Belting, J.-N.; Hauda, J.; Tymann, D.; Antoni, P. W.; Goddard, R.; Hansmann, M. M. Spiro-C(sp³)-atom transfer: Creating rigid three-dimensional structures with Ph₂SCN₂. Science 2025, 387, 885–892.