Journal Article (95)

2025
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Mauß, J. M.; Kley, K. S.; Khobragade, R.; Tran, N. K.; De Bellis, J.; Schüth, F.; Scheffler, M.; Foppa, L. Modelling the Time-Dependent Reactivity of Catalysts by Experiments and Artificial Intelligence. ChemRxiv: the Preprint Server for Chemistry 2025.
Journal Article
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.
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Heghmanns, M.; Yadav, S.; Boschmann, S.; Selve, V. R.; Veliju, A.; Brocks, C.; Happe, T.; Pantazis, D. A.; Kasanmascheff, M. Distinct Valence States of the [4Fe4S] Cluster Revealed in the Hydrogenase CrHydA1. Angewandte Chemie International Edition 2025, 64, e202424167.
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, e202503747.
Journal Article
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.
Journal Article
Faber, T.; Engelhardt, S.; Cornella, J. Aryl Silicon Nucleophiles in Bismuth Catalysis. Angewandte Chemie International Edition 2025, 64, e202424698.
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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.
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, e202500253.
Journal Article
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.
Journal Article
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.
Journal Article
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.
Journal Article
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.
Journal Article
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.
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Fiorucci, L.; Ravera, E. Not Just Another Crystal Field Software. Journal of Computational Chemistry 2025, 46, e70063.
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Frank, N.; Leutzsch, M.; List, B. Bro̷nsted Acid-Catalyzed Reduction of Furans. Journal of the American Chemical Society 2025, 147, 7932–7938.
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.
Journal Article
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.
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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.
Journal Article
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.
Journal Article
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.
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