Zeitschriftenartikel (5025)

2024
Zeitschriftenartikel
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.
Zeitschriftenartikel
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.
Zeitschriftenartikel
Assaf, C. D.; Gui, X.; Auer, A. A.; Duckett, S. B.; Hövener, J.-B.; Pravdivtsev, A. N. J Coupling Constants of <1 Hz Enable 13C Hyperpolarization of Pyruvate via Reversible Exchange of Parahydrogen. The Journal of Physical Chemistry Letters 2024, 15, 1195–1203.
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Bergner, J.; Borstelmann, J.; Cavinato, L. M.; Fuenzalida-Werner, J. P.; Walla, C.; Hinrichs, H.; Schulze, P.; Rominger, F.; Costa, R. D.; Dreuw, A.; Kivala, M. A Conformationally Stable π-Expanded X-Type Double Helicene Comprising Dihydropyracylene Units with Multistage Redox Behavior. Chemistry – A European Journal 2024, 30, e202303336.
Zeitschriftenartikel
Kumar, M.; Gupta, M. K.; Ansari, M.; Ansari, A. C–H bond activation by high-valent iron/cobalt–oxo complexes: a quantum chemical modeling approach. Physical Chemistry Chemical Physics 2024, 26, 4349–4362.
Zeitschriftenartikel
Qiu, Z.; Neumann, C. N. Influence of Cage Effects in Directing the Outcome of C–X Bond Forming Reactions. ACS Organic & Inorganic Au 2024, 4, 1–25.
Zeitschriftenartikel
Gehrke, L.; Bläker, C.; Pasel, C.; Farès, C.; Bathen, D. Structural and energetic characterization of silica-alumina gels for adsorption processes. Microporous and Mesoporous Materials 2024, 365, 112891.
Zeitschriftenartikel
Rehosek, M.; Laupheimer, M.; Marlow, F. Demixing behavior of Pickering emulsions stabilized by Janus particles and uniform Pickering particles at different pH values. Colloid and Polymer Science 2024, 302, 253–260.
Zeitschriftenartikel
Sutro, J. L.; Fürstner, A. Total Synthesis of the Allenic Macrolide (+)-Archangiumide. Journal of the American Chemical Society 2024, 146, 2345–2350.
Zeitschriftenartikel
Belli, R. G.; Muir, V.; Dyck, N. B.; Pantazis, D. A.; Sousa, T. P. A.; Slusar, C. R.; Parkin, H. C.; Rosenberg, L. Exploring Electrophilic Hydrophosphination via Metal Phosphenium Intermediates. Chemistry – A European Journal 2024, 30, e202302924.
Zeitschriftenartikel
Guillén, M.; Liu, S.; Díaz-Oviedo, C. D.; Klussmann, M.; List, B. Acid-Catalyzed Oxy-aminomethylation of Styrenes. ACS Catalysis 2024, 14, 751–756.
Zeitschriftenartikel
Gui, X.; Sorbelli, D.; Caló, F. P.; Leutzsch, M.; Patzer, M.; Fürstner, A.; Bistoni, G.; Auer, A. A. Elucidating the Electronic Nature of Rh-based Paddlewheel Catalysts from 103Rh NMR Chemical Shifts: Insights from Quantum Mechanical Calculations. Chemistry – A European Journal 2024, 30, e202301846.
Zeitschriftenartikel
Wakchaure, V. N.; DeSnoo, W.; Laconsay, C. J.; Leutzsch, M.; Tsuji, N.; Tantillo, D. J.; List, B. Catalytic asymmetric cationic shifts of aliphatic hydrocarbons. Nature 2024, 625, 287–292.
Zeitschriftenartikel
Harbor-Collins, H.; Sabba, M.; Bengs, C.; Moustafa, G.; Leutzsch, M.; Levitt, M. H. NMR spectroscopy of a 18O-labeled rhodium paddlewheel complex: Isotope shifts, 103Rh–103Rh spin–spin coupling, and 103Rh singlet NMR. The Journal of Chemical Physics 2024, 160, 014305.
Zeitschriftenartikel
Reetz, M. T.; Qu, G.; Sun, Z. Engineered enzymes for the synthesis of pharmaceuticals and other high-value products. Nature Synthesis 2024, 3, 19–32.
Zeitschriftenartikel
Bursch, M.; Grimme, S.; Hansen, A. Influence of Steric and Dispersion Interactions on the Thermochemistry of Crowded (Fluoro)alkyl Compounds. Accounts of Chemical Research 2024, 57, 153–163.
2023
Zeitschriftenartikel
Lansbergen, B.; Tewari, S.; Tomczyk, I.; Seemann, M.; Buchholz, H. L.; Rippegarten, M.; Chamier Cieminski, D.; Juliá, F.; Ritter, T. Reductive Cross-Coupling of a Vinyl Thianthrenium Salt and Secondary Alkyl Iodides. Angewandte Chemie International Edition 2023, 62, e202313659.
Zeitschriftenartikel
Han, J. T.; Zhou, H.; List, B. Brønsted Acid Catalyzed Asymmetric Silylation of Biaryl Diols. Synlett 2023, 34, 2393–2395.
Zeitschriftenartikel
Stegmann, N.; Ochoa-Hernández, C.; Truong, K.-N.; Petersen, H.; Weidenthaler, C.; Schmidt, W. The Mechanism and Pathway of Selective Partial Oxidation of n-Butane to Maleic Anhydride Studied on Titanium Phosphate Catalysts. ACS Catalysis 2023, 13, 15833–15840.
Zeitschriftenartikel
Kalle, D.; Bahr, J.; Keller, T. J.; Kleine Büning, J. B.; Grimme, S.; Bursch, M.; Jester, S.-S.; Höger, S. Modular Bicyclophane-Based Molecular Platforms. Chemistry – A European Journal 2023, 29, e202302662.
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