Chilkuri, V. G.; DeBeer, S.; Neese, F.: Revisiting the Electronic Structure of FeS Monomers Using ab Initio Ligand Field Theory and the Angular Overlap Model. Inorganic Chemistry 56 (17), S. 10418 - 10436 (2017)

Ruiz-Fuertes, J.; Bernert, T.; Zimmer, D.; Schrodt, N.; Koch-Müller, M.; Winkler, B.; Bayarjargal, L.; Popescu, C.; MacLeod, S.; Glazyrin, K.: Ambient-temperature high-pressure-induced ferroelectric phase transition in CaMnTi₂O₆. Physical Review B 96 (9), 094101 (2017)

Gu, D.; Schmidt, W.; Pichler, C.; Bongard, H.-J.; Spliethoff, B.; Asahina, S.; Cao, Z.; Terasaki, O.; Schüth, F.: Surface-Casting Synthesis of Mesoporous Zirconia with a CMK-5-Like Structure and High Surface Area. Angewandte Chemie International Edition 56 (37), S. 11222 - 11225 (2017)

Li, G.; Maria-Solano, M. A.; Romero-Rivera, A.; Osuna, S.; Reetz, M. T.: Inducing high activity of a thermophilic enzyme at ambient temperatures by directed evolution. Chemical Communications 53 (68), S. 9454 - 9457 (2017)

Neese, F.: High‐Level Spectroscopy, Quantum Chemistry, and Catalysis: Not just a Passing Fad. Angewandte Chemie International Edition 56 (37), S. 11003 - 11010 (2017)

Ferrini, P.; Chesi, C.; Parkin, N.; Rinaldi, R.: Effect of methanol in controlling defunctionalization of the propyl side chain of phenolics from catalytic upstream biorefining. Faraday Discussions 202, S. 403 - 413 (2017)

Heracleous, E.; Gu, D.; Schüth, F.; Bennett, J. A.; Isaacs, M. A.; Lee, A. F.; Wilson, K.; Lappas, A. A.: Bio-oil upgrading via vapor-phase ketonization over nanostructured FeO_x and MnO_x: catalytic performance and mechanistic insight. Biomass and Bioenergy 7 (3), S. 319 - 329 (2017)

Jackl, M. K.; Legnani, L.; Morandi, B.; Bode, J. W.: Continuous Flow Synthesis of Morpholines and Oxazepanes with Silicon Amine Protocol (SLAP) Reagents and Lewis Acid Facilitated Photoredox Catalysis. Organic Letters 19 (17), S. 4696 - 4699 (2017)

Kubas, A.; Noak, J.; Trunschke, A.; Schlögl, R.; Neese, F.; Maganas, D.: A combined experimental and theoretical spectroscopic protocol for determination of the structure of heterogeneous catalysts: developing the information content of the resonance Raman spectra of M1 MoVO_x. Chemical Science 8 (9), S. 6338 - 6353 (2017)

Wang, Y.; Lee, S.; Lam, W.; Chen, S.-R.; Dutschman, G. E.; Gullen, E. A.; Grill, S. P.; Cheng, Y.; Fürstner, A.; Francis, S. et al.; Baker, D. C.; Yang, X.; Lee, K.-H.; Cheng, Y.-C.: Tylophorine Analogs Allosterically Regulates Heat Shock Cognate Protein 70 And Inhibits Hepatitis C Virus Replication. Scientific Reports 7, 10037 (2017)

Vetere, A.; Pröfrock, D.; Schrader, W.: Quantitative and Qualitative Analysis of Three Classes of Sulfur Compounds in Crude Oil. Angewandte Chemie International Edition 56 (36), S. 10933 - 10937 (2017)

Muldarisnur, M.; Marlow, F.: Spectroscopic Investigation of Opal Formation from Suspensions. The Journal of Physical Chemistry C 121 (33), S. 18274 - 18279 (2017)

Pedersen, K. S.; Woodruff, D. N.; Singh, S. K.; Tressaud, A.; Durand, E.; Atanasov, M.; Perlepe, P.; Ollefs, K.; Wilhelm, F.; Mathonière, C. et al.; Neese, F.; Rogalev, A.; Bendix, J.; Clérac, R.: [OsF₆]^x−: Molecular Models for Spin‐Orbit Entangled Phenomena. Chemistry – A European Journal 23 (47), S. 11244 - 11248 (2017)

He, Y.; Ding, Y.; Ma, C.; Di, J.; Jiang, C.; Li, A.: One-pot conversion of biomass-derived xylose to furfuralcohol by a chemo-enzymatic sequential acid-catalyzed dehydration and bioreduction. Green Chemistry 19 (16), S. 3844 - 3850 (2017)

Casitas, A.; Rees, J. A.; Goddard, R.; Bill, E.; DeBeer, S.; Fürstner, A.: Two Exceptional Homoleptic Iron(IV) Tetraalkyl Complexes. Angewandte Chemie International Edition 56 (34), S. 10108 - 10113 (2017)

Wang, J.; Ilie, A.; Yuan, S.; Reetz, M. T.: Investigating Substrate Scope and Enantioselectivity of a Defluorinase by a Stereochemical Probe. Journal of the American Chemical Society 139 (32), S. 11241 - 11247 (2017)

Guo, Y.; Sivalingam, K.; Valeev, E. F.; Neese, F.: Explicitly correlated N-electron valence state perturbation theory (NEVPT2-F12). The Journal of Chemical Physics 147 (6), 064110 (2017)

Pattni, V.; Vasilevskaya, T.; Thiel, W.; Heyden, M.: Distinct Protein Hydration Water Species Defined by Spatially Resolved Spectra of Intermolecular Vibrations. The Journal of Physical Chemistry B 121 (31), S. 7431 - 7442 (2017)

Abis, L.; Freakley, S. J.; Dodekatos, G.; Morgan, D. J.; Sankar, M.; Dimitratos, N.; He, Q.; Kiely, C. J.; Hutchings, G. J.: Highly Active Gold and Gold-Palladium Catalysts Prepared by Colloidal Methods in the Absence of Polymer Stabilizers. ChemCatChem 9 (15), S. 2914 - 2918 (2017)

Jung, J.; Atanasov, M.; Neese, F.: Ab Initio Ligand-Field Theory Analysis and Covalency Trends in Actinide and Lanthanide Free Ions and Octahedral Complexes. Inorganic Chemistry 56 (15), S. 8802 - 8816 (2017)