Publikationen des MPI für Kohlenforschung

Seidel, R. W.; Goddard, R.; Nöthling, N.; Kolev, T. M. On the structures of free-base lepidine and some mineral acid salts. Journal of Molecular Structure 2023, 1285, 135460.

Chang, W.-C.; Randel, H.; Weyhermüller, T.; Auer, A. A.; Farès, C.; Werlé, C. A Cooperative Rhodium/Secondary Phosphine Oxide [Rh/P(O)nBu₂] Template for Catalytic Hydrodefluorination of Perfluoroarenes. Angewandte Chemie International Edition 2023, 62, e202219127.

Bandemehr, J.; Atanasov, M.; Rao, S. V.; Neese, F.; Pietzonka, C.; Ivlev, S. I.; Kraus, F. Exchange Interactions and Magnetic Properties of a Molecular Mn₁₈-Ring Complex. Chemistry – A European Journal 2023, 29, e202203449.

Bamberg, M.; Gasevic, T.; Bolte, M.; Virovets, A.; Lerner, H.-W.; Grimme, S.; Bursch, M.; Wagner, M. Regioselective Derivatization of Silylated [20]Silafulleranes. Journal of the American Chemical Society 2023, 145, 11440–11448.

Izsák, R.; Ivanov, A. V.; Blunt, N. S.; Holzmann, N.; Neese, F. Measuring Electron Correlation: The Impact of Symmetry and Orbital Transformations. Journal of Chemical Theory and Computation 2023, 19, 2703–2720.

Beyazay, T.; Ochoa-Hernández, C.; Song, Y.; Belthle, K. S.; Martin, W. F.; Tüysüz, H. Influence of Composition of Nickel-Iron Nanoparticles for Abiotic CO₂ Conversion to Early Prebiotic Organics. Angewandte Chemie International Edition 2023, 62, e202218189.

Zou, W.; Bursch, M.; Mears, K. L.; Stennett, C. R.; Yu, P.; Fettinger, J. C.; Grimme, S.; Power, P. P. London Dispersion Effects in a Distannene/Tristannane Equilibrium: Energies of their Interconversion and the Suppression of the Monomeric Stannylene Intermediate. Angewandte Chemie International Edition 2023, 62, e202301919.

Drosou, M.; Comas-Vilà, G.; Neese, F.; Salvador, P.; Pantazis, D. A. Does Serial Femtosecond Crystallography Depict State-Specific Catalytic Intermediates of the Oxygen-Evolving Complex? Journal of the American Chemical Society 2023, 145, 10604–10621.

Balcerzak, M.; Ternieden, J.; Felderhoff, M. Synthesis, thermal stability, and hydrogen storage properties of poorly crystalline TiVFeCuNb multi-principal element alloy: Dedicated to the memory of Michel Latroche and his great contribution to the field of metal hydrides. Journal of Alloys and Compounds 2023, 943, 169142.

Wang, Z.; Neese, F. Development of NOTCH, an all-electron, beyond-NDDO semiempirical method: Application to diatomic molecules. The Journal of Chemical Physics 2023, 158, 184102.

Ni, S.; Yan, J.; Tewari, S.; Reijerse, E. J.; Ritter, T.; Cornella, J. Nickel Meets Aryl Thianthrenium Salts: Ni(I)-Catalyzed Halogenation of Arenes. Journal of the American Chemical Society 2023, 145, 9988–9993.

Budiyanto, E.; Ochoa-Hernández, C.; Tüysüz, H. Impact of Highly Concentrated Alkaline Treatment on Mesostructured Cobalt Oxide for the Oxygen Evolution Reaction. Advanced Sustainable Systems 2023, 7, 2200499.

del Mar Alonso-Doncel, M.; Ochoa-Hernández, C.; Gómez-Pozuelo, G.; Oliveira, A.; González-Aguilar, J.; Peral, Á.; Sanz, R.; Serrano, D. P. Dendritic nanoarchitecture imparts ZSM-5 zeolite with enhanced adsorption and catalytic performance in energy applications. Journal of Energy Chemistry 2023, 80, 77–88.

Vennewald, M.; Sackers, N. M.; Iemhoff, A.; Kappel, I.; Weidenthaler, C.; Meise, A.; Heggen, M.; Dunin-Borkowski, R. E.; Keenan, L.; Palkovits, R. Dynamics of palladium single-atoms on graphitic carbon nitride during ethylene hydrogenation. Journal of Catalysis 2023, 421, 134–144.

Maji, R.; Ghosh, S.; Grossmann, O.; Zhang, P.; Leutzsch, M.; Tsuji, N.; List, B. A Catalytic Asymmetric Hydrolactonization. Journal of the American Chemical Society 2023, 145, 8788–8793.

Seidel, R. W.; Richter, A.; Goddard, R.; Imming, P. Synthesis, structures, reactivity and medicinal chemistry of antitubercular benzothiazinones. Chemical Communications 2023, 59, 4697–4715.

Foglia, N.; De Souza, B.; Maganas, D.; Neese, F. Including vibrational effects in magnetic circular dichroism spectrum calculations in the framework of excited state dynamics. The Journal of Chemical Physics 2023, 158, 154108.

Onur Şahin, E.; Zhang, S.; Scheu, C.; Weidenthaler, C. Sodium tantalates: monitoring crystallization via in situ total X-ray scattering. CrystEngComm 2023, 25, 2256–2263.

Lang, M.; Ganapathy, U. S.; Mann, L.; Abdelaziz, R.; Seidel, R. W.; Goddard, R.; Sequenzia, I.; Hoenke, S.; Schulze, P.; Aragaw, W. W.; Csuk, R.; Dick, T.; Richter, A. Synthesis and Characterization of Phenylalanine Amides Active against Mycobacterium abscessus and Other Mycobacteria. Journal of Medicinal Chemistry 2023, 66, 5079–5098.

Altun, A.; Riplinger, C.; Neese, F.; Bistoni, G. Exploring the Accuracy Limits of PNO-Based Local Coupled-Cluster Calculations for Transition-Metal Complexes. Journal of Chemical Theory and Computation 2023, 19, 2039–2047.