Minenkov, Y.; Bistoni, G.; Riplinger, C.; Auer, A. A.; Neese, F.; Cavallo, L.: Pair natural orbital and canonical coupled cluster reaction enthalpies involving light to heavy alkali and alkaline earth metals: the importance of sub-valence correlation. Physical Chemistry Chemical Physics 19 (14), pp. 9374 - 9391 (2017)

Wang, J.; Li, G.; Reetz, M. T.: Enzymatic site-selectivity enabled by structure-guided directed evolution. Chemical Communications 53 (28), pp. 3916 - 3928 (2017)

Cao, Z.; Ouyang, L.; Wang , H.; Liu, J.; Felderhoff, M.; Zhu , M.: Reversible hydrogen storage in yttrium aluminum hydride. Journal of Materials Chemistry A 5 (13), pp. 6042 - 6046 (2017)

Kennema, M.; de Castro, I. B. D.; Meemken, F.; Rinaldi, R.: Liquid-Phase H-Transfer from 2-Propanol to Phenol on Raney Ni: Surface Processes and Inhibition. ACS Catalysis 7 (4), pp. 2437 - 2445 (2017)

Gao, Y.-J.; Chang, X.-P.; Liu, X.-Y.; Li, Q.-S.; Cui, G.; Thiel, W.: Excited-State Decay Paths in Tetraphenylethene Derivatives. The Journal of Physical Chemistry A 121 (13), pp. 2572 - 2579 (2017)

Gu, L.; Wolf, L. M.; Zieliński, A.; Thiel, W.; Alcarazo, M.: α-Dicationic Chelating Phosphines: Synthesis and Application to the Hydroarylation of Dienes. Journal of the American Chemical Society 139 (13), pp. 4948 - 4953 (2017)

Paul, S.; Cox, N.; Pantazis, D. A.: What Can We Learn from a Biomimetic Model of Nature’s Oxygen-Evolving Complex? Inorganic Chemistry 56 (7), pp. 3875 - 3888 (2017)

Ghislain, T.; Molnarne Guricza, L.; Schrader, W.: Characterization of crude oil asphaltenes by coupling size-exclusion chromatography directly to an ultrahigh-resolution mass spectrometer. Rapid Communications in Mass Spectrometry 31 (6), pp. 495 - 502 (2017)

Debrouwer, W.; Fürstner, A.: Rearrangement of a Transient Gold Vinylidene into Gold Carbenes. Chemistry – A European Journal 23 (18), pp. 4271 - 4275 (2017)

Li, A.; Wang, B.; Ilie, A.; Dubey, K. D.; Bange, G.; Korendovych, I. V.; Shaik, S.; Reetz, M. T.: A redox-mediated Kemp eliminase. Nature Communications 8, 14876 (2017)

Prieto, G.: Carbon Dioxide Hydrogenation into Higher Hydrocarbons and Oxygenates: Thermodynamic and Kinetic Bounds and Progress with Heterogeneous and Homogeneous Catalysis. ChemSusChem 10 (6), pp. 1056 - 1070 (2017)

Rummelt, S. M.; Cheng, G.-J.; Gupta, P.; Thiel, W.; Fürstner, A.: Hydroxy-Directed Ruthenium-Catalyzed Alkene/Alkyne Coupling: Increased Scope, Stereochemical Implications, and Mechanistic Rationale. Angewandte Chemie International Edition 56 (13), pp. 3599 - 3604 (2017)

Muldarisnur, M.; Marlow, F.: Polarization anisotropy in light propagation inside opal-based photonic crystals. Journal of Physics: Theories and Applications 1 (1), pp. 35 - 41 (2017)

Qiao, Y.; Theyssen, N.; Eifert , T.; Liauw, M. A.; Francio, G.; Schenk , K.; Leitner, W.; Reetz, M. T.: Concerning the Role of Supercritical Carbon Dioxide in SN₁ Reactions. Chemistry – A European Journal 23 (16), pp. 3898 - 3902 (2017)

Suturina, E. A.; Nehrkorn, J.; Zadrozny, J. M.; Liu, J.; Atanasov, M.; Weyhermüller, T.; Maganas, D.; Hill, S.; Schnegg, A.; Bill, E. et al.; Long, J. R.; Neese, F.: Magneto-Structural Correlations in Pseudotetrahedral Forms of the [Co(SPh)₄]^2– Complex Probed by Magnetometry, MCD Spectroscopy, Advanced EPR Techniques, and ab Initio Electronic Structure Calculations. Inorganic Chemistry 56 (5), pp. 3102 - 3118 (2017)

Ganguly, A.; Thiel, W.; Crane, B. R.: Glutamine Amide Flip Elicits Long Distance Allosteric Responses in the LOV Protein Vivid. Journal of the American Chemical Society 139 (8), pp. 2972 - 2980 (2017)

Dodekatos, G.; Tüysüz, H.: Effect of Post‐Treatment on Structure and Catalytic Activity of CuCo‐based Materials for Glycerol Oxidation. ChemCatChem 9 (4), pp. 610 - 619 (2017)

Dutta, A. K.; Nooijen, M.; Neese, F.; Izsák, R.: Automatic active space selection for the similarity transformed equations of motion coupled cluster method. The Journal of Chemical Physics 146 (7), 074103 (2017)

Marchione, D.; Izquierdo, M. A.; Bistoni, G.; Havenith, R. W. A.; Macchioni, A.; Zuccaccia, D.; Tarantelli, F.; Belpassi, L.: ¹³C NMR Spectroscopy of N‐Heterocyclic Carbenes Can Selectively Probe σ Donation in Gold(I) Complexes. Chemistry – A European Journal 23 (11), pp. 2722 - 2728 (2017)

Qiao, Y.; Said, N.; Rauser, M.; Yan, K.; Qin, F.; Theyssen, N.; Leitner, W.: Preparation of SBA–15 supported Pt/Pd bimetallic nano–catalysts using supercritical fluid reactive deposition and their application in hydrogenation of LA to GVL: How do solvent effects during material synthesis affect catalytic properties? Green Chemistry 19 (4), pp. 977 - 986 (2017)