Kupper, C.; Mondal, B.; Serrano-Plana, J.; Klawitter, I.; Neese, F.; Costas, M.; Ye, S.; Meyer, F. Nonclassical Single-State Reactivity of an Oxo-Iron(IV) Complex Confined to Triplet Pathways. Journal of the American Chemical Society 2017, 139, 8939–8949.

Wombacher, T.; Goddard, R.; Lehmann, C. W.; Schneider, J. J. Organometallic rubidium and cesium compounds of the 5,6;11,12-di-o-phenylene-tetracene dianion. Chemical Communications 2017, 53, 7030–7033.

Maciejewski, J.; Sobczuk, A.; Claveau, A.; Nicolai, A.; Petraglia, R.; Cervini, L.; Baudat, E.; Miéville, P.; Fazzi, D.; Corminboeuf, C.; Sforazzini, G. Photochromic Torsional Switch (PTS): a light-driven actuator for the dynamic tuning of π-conjugation extension. Chemical Science 2017, 8, 361–365.

Deng, X.; Öztürk, S.; Weidenthaler, C.; Tüysüz, H. Iron-Induced Activation of Ordered Mesoporous Nickel Cobalt Oxide Electrocatalyst for the Oxygen Evolution Reaction. ACS Applied Materials and Interfaces 2017, 9, 21225–21233.

Dral, P. O.; Owens, A.; Yurchenko, S. N.; Thiel, W. Structure-based sampling and self-correcting machine learning for accurate calculations of potential energy surfaces and vibrational levels. The Journal of Chemical Physics 2017, 146, 244108.

Chakraborty, U.; Demeshko, S.; Meyer, F.; Rebreyend, C.; de Bruin, B.; Atanasov, M.; Neese, F.; Mühldorf, B.; Wolf, R. Electronic Structure and Magnetic Anisotropy of an Unsaturated Cyclopentadienyl Iron(I) Complex with 15 Valence Electrons. Angewandte Chemie International Edition 2017, 56, 7995–7999.

Menezes Correia, J. T.; List, B.; Coelho , F. Catalytic Asymmetric Conjugate Addition of Indolizines to α,β-Unsaturated Ketones. Angewandte Chemie International Edition 2017, 56, 7967–7970.

Calvaruso, G.; Clough, M. T.; Rinaldi, R. Biphasic extraction of mechanocatalytically-depolymerized lignin from water-soluble wood and its catalytic downstream processing. Green Chemistry 2017, 19, 2803–2811.

Preindl, J.; Schulthoff, S.; Wirtz, C.; Lingnau, J.; Fürstner, A. Polyunsaturated C-Glycosidic 4-Hydroxy-2-pyrone Derivatives: Total Synthesis Shows that Putative Orevactaene Is Likely Identical with Epipyrone A. Angewandte Chemie International Edition 2017, 56, 7525–7530.

Sharma, A.; Roemelt, M.; Reithofer, M.; Schrock, R. R.; Hoffmann, B. M.; Neese, F. EPR/ENDOR and Theoretical Study of the Jahn–Teller-Active [HIPTN₃N]Mo^VL Complexes (L = N^–, NH). Inorganic Chemistry 2017, 56, 6906–6919.

Wang, J.; Ilie, A.; Reetz, M. T. Chemo- and Stereoselective Cytochrome P450-BM3 Catalyzed Sulfoxidation of 1-Thiochroman-4-ones. Advanced Synthesis & Catalysis 2017, 359, 2056–2060.

Zywitzki, D.; Jing , H.; Tüysüz, H.; Chan, C. High Surface Area, Amorphous Titania with Reactive Ti³⁺ through Photo-assisted Synthesis Method for Photocatalytic H₂ Generation. Journal of Materials Chemistry A 2017, 5, 10957–10967.

Ganguly, A.; Boulanger, E.; Thiel, W. Importance of MM Polarization in QM/MM Studies of Enzymatic Reactions: Assessment of the QM/MM Drude Oscillator Model. Journal of Chemical Theory and Computation 2017, 13, 2954–2961.

Lian, Z.; Bhawal, B. N.; Yu, P.; Morandi, B. Palladium-catalyzed carbon-sulfur or carbon-phosphorus bond metathesis by reversible arylation. Science 2017, 356, 1059–1063.

Engelhardt, J.; Lyu, P.; Nachtigall, P.; Schüth, F.; García, Á. M. The Influence of Water on the Performance of Molybdenum Carbide Catalysts in Hydrodeoxygenation Reactions: A Combined Theoretical and Experimental Study. ChemCatChem 2017, 9, 1985–1991.

Dutta, A. K.; Neese, F.; Izsák, R. A simple scheme for calculating approximate transition moments within the equation of motion expectation value formalism. The Journal of Chemical Physics 2017, 146, 214111.

Lee, H.; Börgel, J.; Ritter, T. Carbon–Fluorine Reductive Elimination from Nickel(III) Complexes. Angewandte Chemie International Edition 2017, 56, 6966–6969.

Mitra, R.; Goddard, R.; Pörschke, K.-R. 9,9-Difluorobispidine Analogues of Cisplatin, Carboplatin, and Oxaliplatin. Inorganic Chemistry 2017, 56, 6712–6724.

Spanos, I.; Auer, A. A.; Neugebauer, S.; Deng, X.; Tüysüz, H.; Schlögl, R. Standardized Benchmarking of Water Splitting Catalysts in a Combined Electrochemical Flow Cell/Inductively Coupled Plasma–Optical Emission Spectrometry (ICP-OES) Setup. ACS Catalysis 2017, 7, 3768–3778.

Ausfelder, F.; Beilmann, C.; Bertau, M.; Bräuninger, S.; Heinzel, A.; Hoer, R.; Koch, W.; Mahlendorf, F.; Metzelthin, A.; Peuckert, M.; Plass, L.; Räuchle, K.; Reuter, M.; Schaub, G.; Schiebahn, S.; Schwab, E.; Schüth, F.; Stolten, D.; Teßmer, G.; Wagemann, K.; Ziegahn, K.-F. Energy Storage as Part of a Secure Energy Supply. ChemBioEng Reviews 2017, 4, 144–210.