Scientific Publications

Bilke, M.; Zimmermann, T.; Schüth, F.: Iodine-Catalyzed Selective Functionalization of Ethane in Oleum: Toward a Direct Process for the Production of Ethylene Glycol from Shale Gas. Journal of the American Chemical Society 142 (52), pp. 21712 - 21719 (2020)

Sandig-Predzymirska, L.; Ortmeyer, J.; Wagler, J.; Brendler, E.; Habermann, F.; Anders, M.; Felderhoff, M.; Mertens, F.: The direct and reversible hydrogenation of activated aluminium supported by piperidine. Dalton Transactions 49 (48), pp. 17689 - 17698 (2020)

Wang, L.; Cornella, J.: A Unified Strategy for Arylsulfur(VI) Fluorides from Aryl Halides: Access to Ar‐SOF₃ Compounds. Angewandte Chemie International Edition 59 (52), pp. 23510 - 23515 (2020)

Reetz, M. T.: Effective mentoring ensures the progress of science. Journal of Biology 37 (6) (2020)

Santos, J. M.; Vetere, A.; Wisniewski, A.; Eberlin, M. N.; Schrader, W.: Modified SARA Method to Unravel the Complexity of Resin Fraction(s) in Crude Oil. Energy & Fuels 34 (12), pp. 16006 - 16013 (2020)

Joshi, H.; Ochoa-Hernández, C.; Nürenberg, E.; Kang, L.; Wang, F. R.; Weidenthaler, C.; Schmidt, W.; Schüth, F.: Insights into the mechanochemical synthesis of Sn-β: Solid-state metal incorporation in beta zeolite. Microporous and Mesoporous Materials 309, 110566 (2020)

Gómez‐Piñeiro, R. J.; Pantazis, D. A.; Orio, M.: Comparison of Density Functional and Correlated Wave Function Methods for the Prediction of Cu(II) Hyperfine Coupling Constants. ChemPhysChem 21 (24), pp. 2667 - 2679 (2020)

Roy, L.; Mondal, B.; Ye, S.: Computational mechanistic insights into non-noble-metal-catalysed CO₂ conversion. Dalton Transactions 49 (46), pp. 16608 - 16616 (2020)

Chen, T.-Y.; Ho, P.-H.; Spyra, C.-J.; Meyer, F.; Bill, E.; Ye, S.; Lee, W.-Z.: Ambiphilicity of a mononuclear cobalt(III) superoxo complex. Chemical Communications 56 (94), pp. 14821 - 14824 (2020)

König, G.; Riniker, S.: On the faithfulness of molecular mechanics representations of proteins towards quantum-mechanical energy surfaces. Interface Focus 10 (6), 20190121 (2020)

Properzi, R.; Kaib, P. S. J.; Leutzsch, M.; Pupo, G.; Mitra, R.; De, C. K.; Song, L.; Schreiner, P. R.; List, B.: Catalytic enantiocontrol over a non-classical carbocation. Nature Chemistry 12 (12), pp. 1174 - 1179 (2020)

Waffel, D.; Budiyanto, E.; Porske, T.; Büker, J.; Falk, T.; Fu, Q.; Schmidt, S.; Tüysüz, H.; Muhler, M.; Peng, B.: Investigation of Synergistic Effects between Co and Fe in Co_3-xFe_xO₄ Spinel Catalysts for the Liquid-Phase Oxidation of Aromatic Alcohols and Styrene. Molecular Catalysis 498 (12), 111251 (2020)

Datta, D.; Saitow, M.; Sandhöfer, B.; Neese, F.: ⁵⁷Fe Mössbauer parameters from domain based local pair-natural orbital coupled-cluster theory. The Journal of Chemical Physics 153 (20), 204101 (2020)

Planchestainer, M.; McMaster, J.; Schulz, C.; Paradisi, F.; Albrecht, M.: Carbene‐Induced Rescue of Catalytic Activity in Deactivated Nitrite Reductase Mutant. Chemistry – A European Journal 26 (66), pp. 15206 - 15211 (2020)

Hillenbrand, J.; Leutzsch, M.; Gordon, C. P.; Copéret, C.; Fürstner, A.: ¹⁸³W NMR Spectroscopy Guides the Search for Tungsten Alkylidyne Catalysts for Alkyne Metathesis. Angewandte Chemie International Edition 59 (48), pp. 21758 - 21768 (2020)

Wong, J. W. L.; Hua, S.-A.; Demeshko, S.; Dechert, S.; Ye, S.; Meyer, F.: Bis(pyrazolato) Bridged Diiron Complexes: Ferromagnetic Coupling in a Mixed‐Valent HS‐Fe^II/LS‐Fe^III Dinuclear Complex. European Journal of Inorganic Chemistry 2020 (43), pp. 4137 - 4145 (2020)

Abdellatif, S. O.; Kirah, K.; Erni, D.; Marlow, F.: Modeling disorder in two-dimensional colloidal crystals based on electron microscope measurements. Applied Optics 59 (33), pp. 10432 - 10440 (2020)

Le Vaillant, F.; Reijerse, E. J.; Leutzsch, M.; Cornella, J.: Dialkyl Ether Formation at High-Valent Nickel. Journal of the American Chemical Society 142 (46), pp. 19540 - 19550 (2020)

Pang, Y.; Leutzsch, M.; Nöthling, N.; Cornella, J.: Catalytic Activation of N₂O at a Low-Valent Bismuth Redox Platform. Journal of the American Chemical Society 142 (46), pp. 19473 - 19479 (2020)

Chakarawet, K.; Atanasov, M.; Marbey, J.; Bunting, P. C.; Neese, F.; Hill, S.; Long, J. R.: Strong Electronic and Magnetic Coupling in M₄ (M = Ni, Cu) Clusters via Direct Orbital Interactions between Low-Coordinate Metal Centers. Journal of the American Chemical Society 142 (45), pp. 19161 - 19169 (2020)