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Dodekatos, G.; Tüysüz, H. Effect of Post‐Treatment on Structure and Catalytic Activity of CuCo‐Based Materials for Glycerol Oxidation. ChemCatChem 2017, 9, 610–619.

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 2017, 146, 074103.

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 2017, 23, 2722–2728.

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 2017, 19, 977–986.

Cao, Z.; Engelhardt, J.; Dierks, M.; Clough, M. T.; Wang, G.; Heracleous, E.; Lappas, A.; Rinaldi, R.; Schüth, F. Catalysis Meets Nonthermal Separation for the Production of (Alkyl)Phenols and Hydrocarbons from Pyrolysis Oil. Angewandte Chemie International Edition 2017, 56, 2334–2339.

Eckert, R.; Felderhoff, M.; Schüth, F. Preferential Carbon Monoxide Oxidation over Copper-Based Catalysts under In Situ Ball Milling. Angewandte Chemie International Edition 2017, 56, 2445–2448.

Sprengel, A.; Lill, P.; Stegemann, P.; Bravo-Rodriguez, K.; Schöneweiß, E.-C.; Merdanovic, M.; Gudnason, D.; Aznauryan, M.; Gamrad, L.; Barcikowski, S.; Sanchez-Garcia, E.; Birkedal, V.; Gatsogiannis, C.; Ehrmann, M.; Saccà, B. Tailored Protein Encapsulation into a DNA Host Using Geometrically Organized Supramolecular Interactions. Nature Communications 2017, 8, 14472 (2017).

Lee, S.; Kaib, P. S. J.; List, B. Asymmetric Catalysis Via Cyclic, Aliphatic Oxocarbenium Ions. Journal of the American Chemical Society 2017, 139, 2156–2159.

Legnani, L.; Bhawal, B. N.; Morandi, B. Recent Developments in the Direct Synthesis of Unprotected Primary­ Amines. Synthesis 2017, 49, 776–789.

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Gao, X.; Bai, S.; Fazzi, D.; Niehaus, T.; Barbatti, M.; Thiel, W. Evaluation of Spin-Orbit Couplings with Linear-Response Time-Dependent Density Functional Methods. Journal of Chemical Theory and Computation 2017, 13, 515–524.

Huang, J.; Mei, Y.; König, G.; Simmonett, A. C.; Pickard IV, F. C.; Wu, Q.; Wang, L.-P.; MacKerell Jr., A. D.; Brooks, B. R.; Shao, Y. An Estimation of Hybrid Quantum Mechanical Molecular Mechanical Polarization Energies for Small Molecules Using Polarizable Force-Field Approaches. Journal of Chemical Theory and Computation 2017, 13, 679–695.

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Stoychev, G. L.; Auer, A. A.; Neese, F. Automatic Generation of Auxiliary Basis Sets. Journal of Chemical Theory and Computation 2017, 13, 554–562.

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