
Publications of the MPI für Kohlenforschung
Journal Article (4584)
2022
Journal Article
Bursch, M. Optimization of the r2SCAN-3c Composite Electronic-Structure Method for Use with Slater-Type Orbital Basis Sets. The Journal of Physical Chemistry A 2022, 126, 3826–3838.
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Pantazis, D. A. Reconciling Local Coupled Cluster with Multireference Approaches for Transition Metal Spin-State Energetics. Journal of Chemical Theory and Computation 2022, 18, 3538–3548.
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Biberger, T.; Nöthling, N.; Leutzsch, M.; ; ; Fürstner, A. An Anionic Dinuclear Ruthenium Dihydrogen Complex of Relevance for Alkyne Gem-Hydrogenation. Angewandte Chemie International Edition 2022, 61.
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Klussmann, M.; ; ; Formation of Breslow Intermediates from N-Heterocyclic Carbenes and Aldehydes Involves Autocatalysis by the Breslow Intermediate, and a Hemiacetal. Angewandte Chemie International Edition 2022, 61.
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De Bellis, J.; Ochoa-Hernández, C.; Farès, C.; Petersen, H.; Ternieden, J.; Weidenthaler, C.; Amrute, A. P.; Schüth, F. Surface and Bulk Chemistry of Mechanochemically Synthesized Tohdite Nanoparticles. Journal of the American Chemical Society 2022, 144, 9421–9433.
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Zhou, H.; Han, J. T.; Nöthling, N.; Lindner, M. M.; ; ; Tsuji, N.; Zhang, L.; List, B. Organocatalytic Asymmetric Synthesis of Si-Stereogenic Silyl Ethers. Journal of the American Chemical Society 2022.
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Hamacher, D.; Schrader, W. Investigating Molecular Transformation Processes of Biodiesel Components During Long-Term Storage Via High-Resolution Mass Spectrometry. ChemSusChem 2022.
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Pantazis, D. A.; Decoding the Ambiguous Electron Paramagnetic Resonance Signals in the Lytic Polysaccharide Monooxygenase from Photorhabdus Luminescens. Inorganic Chemistry 2022, 61, 8022–8035.
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Helmich-Paris, B. A Trust-Region Augmented Hessian Implementation for State-Specific and State-Averaged CASSCF Wave Functions. The Journal of Chemical Physics 2022, 156.
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Budiyanto, E.; ; ; ; ; ; ; ; ; ; Tüysüz, H.; ; ; ; Engineering of Cation Occupancy of CoFe2O4 Oxidation Catalysts by Nanosecond, Single-Pulse Laser Excitation in Water. ChemCatChem 2022, 14.
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Ouyang, J.; Maji, R.; Leutzsch, M.; Mitschke, B.; List, B. Design of an Organocatalytic Asymmetric (4 + 3) Cycloaddition of 2-Indolylalcohols with Dienolsilanes. Journal of the American Chemical Society 2022, 144, 8460–8466.
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Pantazis, D. A.; ; Crystalline Germanium(I) and Tin(I) Centered Radical Anions. Angewandte Chemie International Edition 2022, 61.
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Kuziola, J.; Magre, M.; Nöthling, N.; Cornella, J. Synthesis and Structure of Mono-, Di-, and Trinuclear Fluorotriarylbismuthonium Cations. Organometallics 2022.
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Zhou, H.; ; Bae, H. Y.; Leutzsch, M.; Li, Y.; De, C. K.; ; List, B. Organocatalytic Stereoselective Cyanosilylation of Small Ketones. Nature 2022, 605, 84–89.
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Jeske, K.; ; ; ; ; ; ; ; Prieto, G. Direct Conversion of Syngas to Higher Alcohols Via Tandem Integration of Fischer–Tropsch Synthesis and Reductive Hydroformylation. Angewandte Chemie International Edition 2022.
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Petersen, H.; ; ; Weidenthaler, C.; Combination of X-Ray Powder Diffraction and Adsorption Calorimetry for the Characterization of Calcium Exchanged LTA Zeolites. Microporous and Mesoporous Materials 2022, 337.
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Le Vaillant, F.; Mateos Calbet, A.; ; ; Ni, S.; Busch, J.; Cornella, J. Catalytic Synthesis of Phenols with Nitrous Oxide. Nature 2022, 604, 677–683.
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Farès, C. Statistical Evaluation of Simulated NMR Data of Flexible Molecules. Physical Chemistry Chemical Physics 2022, 24, 9608–9618.
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Journal Article
Caló, F. P.; Zimmer, A.; Bistoni, G.; Fürstner, A. From Serendipity to Rational Design: Heteroleptic Dirhodium Amidate Complexes for Diastereodivergent Asymmetric Cyclopropanation. Journal of the American Chemical Society 2022, 144, 7465–7478.
Journal Article
Bursch, M.; ; Computational Study of Ground-State Properties of μ2-Bridged Group 14 Porphyrinic Sandwich Complexes. Journal of Computational Chemistry 2022.
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