Publications of the MPI für Kohlenforschung

Publications of the MPI für Kohlenforschung

Journal Article (5004)

2024
Journal Article
Cheraparambil, H.; Vega-Paredes, M.; Wang, Y.; Tüysüz, H.; Scheu, C.; Weidenthaler, C. Deciphering the Role of Fe Impurities in the Electrolyte Boosting the OER Activity of LaNiO3. Journal of Materials Chemistry A 2024, 12, 5194–5203.
Journal Article
Plett, C.; Stahn, M.; Bursch, M.; Mewes, J.-M.; Grimme, S. Improving Quantum Chemical Solvation Models by Dynamic Radii Adjustment for Continuum Solvation (DRACO). The Journal of Physical Chemistry Letters 2024, 15, 2462–2469.
Journal Article
Gasevic, T.; Kleine Büning, J. B.; Grimme, S.; Bursch, M. Benchmark Study on the Calculation of 207Pb NMR Chemical Shifts. Inorganic Chemistry 2024.
Journal Article
Yahata, K.; Fürstner, A. Total Synthesis of the Guangnanmycin A Alcohol. Angewandte Chemie International Edition 2024, 63, e202319070.
Journal Article
Hartmann, P.; Bohdan, K.; Hommrich, M.; Juliá, F.; Vogelsang, L.; Eirich, J.; Zangl, R.; Farès, C.; Jacobs, J. B.; Mukhopadhyay, D.; Mengeler, J. M.; Vetere, A.; Sterling, M. S.; Hinrichs, H.; Becker, S.; Morgner, N.; Schrader, W.; Finkemeier, I.; Dietz, K.-J.; Griesinger, C.; Ritter, T. Chemoselective Umpolung of Thiols to Episulfoniums for Cysteine Bioconjugation. Nature Chemistry 2024, 16, 380–388.
Journal Article
Sharma, P.; Bilican, A.; Schmidt, W.; Gutowski, O.; Dippel, A.-C.; Kopietz, L.; Weidenthaler, C. Navigating Harsh Ageing: Unraveling Galvanostatic Corrosion Effects on Different Constituents of Carbon-Polymer Composite Bipolar Plates for Vanadium Redox Flow Batteries. Carbon 2024, 221, 118907.
Journal Article
Ulucan, T. H.; Wang, J.; Onur, E.; Chen, S.; Behrens, M.; Weidenthaler, C. Unveiling the Structure–Property Relationship of MgO-Supported Ni Ammonia Decomposition Catalysts from Bulk to Atomic Structure by In Situ/Operando Studies. ACS Catalysis 2024, 14, 2828–2841.
Journal Article
Balcerzak, M.; Ponsoni, J. B.; Petersen, H.; Menéndez, C.; Ternieden, J.; Zhang, L.; Winkelmann, F.; Aguey-Zinsou, K.-F.; Hirscher, M.; Felderhoff, M. Hydrogen-Stabilized ScYNdGd Medium-Entropy Alloy for Hydrogen Storage. Journal of the American Chemical Society 2024, 146, 5283–5294.
Journal Article
Miyazaki, R.; Belthle, K. S.; Tüysüz, H.; Foppa, L.; Scheffler, M. Materials Genes of CO2 Hydrogenation on Supported Cobalt Catalysts: An Artificial Intelligence Approach Integrating Theoretical and Experimental Data. Journal of the American Chemical Society 2024, 146, 5433–5444.
Journal Article
Agbaba, Ö.; Amrute, A. P.; Ochoa-Hernández, C.; Triller, S.; Schüth, F. Methanol Dehydration to Dimethyl Ether on Ball Milling-Derived High-Surface-Area Alpha-Alumina Catalysts. ChemCatChem 2024, 16, e202301159.
Journal Article
Farmani, Z.; Vetere, A.; Pfänder, N.; Lehmann, C. W.; Schrader, W. Naturally Occurring Allotropes of Carbon. Analytical Chemistry 2024, 96, 2968–2974.
Journal Article
Mato, M.; Wang, F.; Cornella, J. Conjugate Aminocyclization Catalyzed by a Bismuthinidene. Advanced Synthesis & Catalysis 2024, 366, 740–744.
Journal Article
Tüysüz, H. Alkaline Water Electrolysis for Green Hydrogen Production. Accounts of Chemical Research 2024, 57, 558–567.
Journal Article
Mato, M.; Cornella, J. Bismuth in Radical Chemistry and Catalysis. Angewandte Chemie International Edition 2024, 63, e202315046.
Journal Article
Reichle, S.; Kang, L.; Demirbas, D.; Weidenthaler, C.; Felderhoff, M.; DeBeer, S.; Schüth, F. Mechanocatalytic Synthesis of Ammonia: State of the Catalyst During Reaction and Deactivation Pathway. Angewandte Chemie International Edition 2024, e202317038.
Journal Article
Song, Y.; Beyazay, T.; Tüysüz, H. Effect of Alkali- and Alkaline-Earth-Metal Promoters on Silica-Supported Co−Fe Alloy for Autocatalytic CO2 Fixation. Angewandte Chemie International Edition 2024, 63, e202316110.
Journal Article
Richter, A.; Goddard, R.; Mann, L.; Siersleben, F.; Seidel, R. W. Structural Characterization of a 3-Hydroxychromone Dye Trehalose Conjugate for Fluorescent Labelling of Mycobacteria. Journal of Molecular Structure 2024, 1298, 137010.
Journal Article
Kleine Büning, J. B.; Grimme, S.; Bursch, M. Machine Learning-Based Correction for Spin–Orbit Coupling Effects in NMR Chemical Shift Calculations. Physical Chemistry Chemical Physics 2024, 26, 4870–4884.
Journal Article
Hölzer, C.; Gordiy, I.; Grimme, S.; Bursch, M. Hybrid DFT Geometries and Properties for 17k Lanthanoid Complexes─The LnQM Data Set. Journal of Chemical Information and Modeling 2024, 64, 825–836.
Journal Article
Cai, Y.; Gaurav, G.; Ritter, T. 1,4-Aminoarylation of Butadienes Via Photoinduced Palladium Catalysis. Angewandte Chemie International Edition 2024, e202311250.
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