Lehmann, C. W. Crystal Structure Prediction-Dawn of a New Era. Angewandte Chemie International Edition 2011, 50, 5616–5617.

Morandi, B.; Cheang, J.; Carreira, E. M. Iron-Catalyzed Preparation of Trifluoromethyl Substituted Vinyl- and Alkynylcyclopropanes. Organic Letters 2011, 13, 3080–3081.

Boess, E.; Sureshkumar, D.; Sud, A.; Wirtz, C.; Farès, C.; Klussmann, M. Mechanistic Studies on a Cu-Catalyzed Aerobic Oxidative Coupling Reaction with N-Phenyl Tetrahydroisoquinoline: Structure of Intermediates and the Role of Methanol As a Solvent. Journal of the American Chemical Society 2011, 133, 8106–8109.

Kohlmann, C.; Leuchs, S.; Greiner, L.; Leitner, W. Continuous Biocatalytic Synthesis of (R)-2-Octanol with Integrated Product Separation. Green Chemistry 2011, 13, 1430–1436.

Liakos, D. G.; Neese, F. Interplay of Correlation and Relativistic Effects in Correlated Calculations on Transition-Metal Complexes: The (Cu₂O₂)²⁺ Core Revisited. Journal of Chemical Theory and Computation 2011, 7, 1511–1523.

Nagl, S.; Schulze, P.; Ohla, S.; Beyreiss, R.; Gitlin, L.; Belder, D. Microfluidic Chips for Chirality Exploration. Analytical Chemistry 2011, 83, 3232–3238.

Gennari, M.; Orio, M.; Pécaut, J.; Bothe, E.; Neese, F.; Collomb, M.-N.; Duboc, C. Influence of Mixed Thiolate/Thioether Versus Dithiolate Coordination on the Accessibility of the Uncommon +I and +III Oxidation States for the Nickel Ion: An Experimental and Computational Study. Inorganic Chemistry 2011, 50, 3707–3716.

Hintermair, U.; Franciò, G.; Leitner, W. Continuous Flow Organometallic Catalysis: New Wind in Old Sails. Chemical Communications 2011, 47, 3691–3701.

Shao, H.; Felderhoff, M.; Schüth, F.; Weidenthaler, C. Nanostructured Ti-Catalyzed MgH₂ for Hydrogen Storage. Nanotechnology 2011, 22, 235401.

Fürstner, A. From Total Synthesis to Diverted Total Synthesis: Case Studies in the Amphidinolide Series. Israel Journal of Chemistry 2011, 51, 329–345.

Atanasov, M.; Delley, B.; Neese, F.; Tregenna-Piggott, P. L.; Sigrist, M. Theoretical Insights into the Magnetostructural Correlations in Mn₃-Based Single-Molecule Magnets. Inorganic Chemistry 2011, 50, 2112–2124.

Cox, N.; Rapatskiy, L.; Su, J.-H.; Pantazis, D. A.; Sugiura, M.; Kulik, L.; Dorlet, P.; Rutherford, A. W.; Neese, F.; Boussac, A.; Lubitz, W.; Messinger, J. Effect of Ca²⁺/Sr²⁺ Substitution on the Electronic Structure of the Oxygen-Evolving Complex of Photosystem II: A Combined Multifrequency EPR, ⁵⁵Mn-ENDOR, and DFT Study of the S₂ State. Journal of the American Chemical Society 2011, 133, 3635–3648.

Zhao, B.; Greiner, L.; Leitner, W. Esterification of Carboxylate-Based Ionic Liquids with Alkyl Halides. Chemical Communications 2011, 47, 2973–2975.

Radoul, M.; Bykov, D.; Rinaldo, S.; Cutruzzolà, F.; Neese, F.; Goldfarb, D. Dynamic Hydrogen-Bonding Network in the Distal Pocket of the Nitrosyl Complex of Pseudomonas Aeruginosa Cd₁ Nitrite Reductase. Journal of the American Chemical Society 2011, 133, 3043–3055.

Pantazis, D. A.; Neese, F. All-Electron Scalar Relativistic Basis Sets for the Actinides. Journal of Chemical Theory and Computation 2011, 7, 677–684.

Bykov, D.; Neese, F. Substrate Binding and Activation in the Active Site of Cytochrome c Nitrite Reductase: a Density Functional Study. Journal of Biological Inorganic Chemistry 2011, 16, 417–430.

List, B. Cluster Preface: Challenges of Proline-Based Aminocatalysis. Synlett 2011, No. 4, 462–463.

Weidenthaler, C. Pitfalls in the Characterization of Nanoporous and Nanosized Materials. Nanoscale 2011, 3, 792–810.

Alachraf, M. W.; Handayani, P. P.; Hüttl, M. R. M.; Grondal, C.; Enders, D.; Schrader, W. Electrospray Mass Spectrometry for Detailed Mechanistic Studies of a Complex Organocatalyzed Triple Cascade Reaction. Organic & Biomolecular Chemistry 2011, 9, 1047–1053.

Lee, A.; Michrowska, A.; Sulzer-Mosse, S.; List, B. The Catalytic Asymmetric Knoevenagel Condensation. Angewandte Chemie International Edition 2011, 50, 1707–1710.