Izsák, R.; Neese, F. An overlap fitted chain of spheres exchange method. The Journal of Chemical Physics 2011, 135, 144105.

Molter, A.; Rust, J.; Lehmann, C. W.; Deepa, G.; Chiba, P.; Mohr, F. Synthesis, structures and anti-malaria activity of some gold(I) phosphine complexes containing seleno- and thiosemicarbazonato ligands. Dalton Transactions 2011, 40, 9810–9820.

Jiang, G.; Halder, R.; Fang, Y.; List, B. A Highly Enantioselective Overman Rearrangement through Asymmetric Counteranion-Directed Palladium Catalysis. Angewandte Chemie International Edition 2011, 50, 9752–9755.

Lifchits, O.; Demoulin, N.; List, B. Direct Asymmetric α Benzoyloxylation of Cyclic Ketones. Angewandte Chemie International Edition 2011, 50, 9680–9683.

Jiang, G.; List, B. Enantioselective hydrovinylation via asymmetric counteranion-directed ruthenium catalysis. Chemical Communications 2011, 47, 10022–10024.

Jiang, G.; List, B. Direct Asymmetric α-Allylation of Aldehydes with Simple Allylic Alcohols Enabled by the Concerted Action of Three Different Catalysts. Angewandte Chemie International Edition 2011, 50, 9471–9474.

Rota, J.-B.; Knecht, S.; Fleig, T.; Ganyushin, D.; Saue, T.; Neese, F.; Bolvin, H. Zero field splitting of the chalcogen diatomics using relativistic correlated wave-function methods. The Journal of Chemical Physics 2011, 135, 114106.

Maganas, D.; Sottini, S.; Kyritsis, P.; Groenen, E. J. J.; Neese, F. Theoretical Analysis of the Spin Hamiltonian Parameters in Co^(II)S₄ Complexes, Using Density Functional Theory and Correlated ab initio Methods. Inorganic Chemistry 2011, 50, 8741–8754.

Morandi, B.; Carreira, E. M. Synthesis of Trifluoroethyl-Substituted Ketones from Aldehydes and Cyclohexanones. Angewandte Chemie International Edition 2011, 50, 9085–9088.

Peters, M.; Köhler, B.; Kuckshinrichs, W.; Leitner, W.; Markewitz, P.; Müller, T. E. Chemical Technologies for Exploiting and Recycling Carbon Dioxide into the Value Chain. ChemSusChem: chemistry & sustainability, energy & materials 2011, 4, 1216–1240.

Daengngern, R.; Kungwan, N.; Wolschann, P.; Aquino, A. J. A.; Lischka, H.; Barbatti, M. Excited-State Intermolecular Proton Transfer Reactions of 7-Azaindole(MeOH)_n (n = 1 - 3) Clusters in the Gas phase: On-the-Fly Dynamics Simulation. The Journal of Physical Chemistry A 2011, 115, 14129–14136.

Beckwith, M. A.; Roemelt, M.; Collomb, M.-N.; DuBoc, C.; Weng, T.-C.; Bergmann, U.; Glatzel, P.; Neese, F.; DeBeer, S. Manganese Kβ X-ray Emission Spectroscopy As a Probe of Metal–Ligand Interactions. Inorganic Chemistry 2011, 50, 8397–8409.

Benson, S.; Collin, M.-P.; Arlt, A.; Gabor, B.; Goddard, R.; Fürstner, A. Second-Generation Total Synthesis of Spirastrellolide F Methyl Ester: The Alkyne Route. Angewandte Chemie International Edition 2011, 50, 8739–8744.

Cox, N.; Ames, W.; Epel, B.; Kulik, L. V.; Rapatskiy, L.; Neese, F.; Messinger, J.; Wieghardt, K.; Lubitz, W. Electronic Structure of a Weakly Antiferromagnetically Coupled Mn^IIMn^III Model Relevant to Manganese Proteins: A Combined EPR, ⁵⁵Mn-ENDOR, and DFT Study. Inorganic Chemistry 2011, 50, 8238–8251.

Ostapowicz, T. G.; Holscher, M.; Leitner, W. CO₂ Insertion into Metal-Carbon Bonds: A Computational Study of Rh^I Pincer Complexes. Chemistry-A European Journal 2011, 17, 10329–10338.

Seidel, R. W.; Goddard, R.; Zibrowius, B.; Oppel, I. M. A Molecular Antenna Coordination Polymer from Cadmium(II) and 4,4’-Bipyridine Featuring Three Distinct Polymer Strands in the Crystal. Polymers 2011, 3, 1458–1474.

Krause, M. R.; Goddard, R.; Kubik, S. Anion-Binding Properties of a Cyclic Pseudohexapeptide Containing 1,5-Disubstituted 1,2,3-Triazole Subunits. The Journal of Organic Chemistry 2011, 76, 7084–7095.

Busch, M.; Bergmann, U.; Sager, U.; Schmidt, W.; Schmidt, F.; Notthoff, C.; Atakan, B.; Winterer, M. Synthesis of Active Carbon-Based Catalysts by Chemical Vapor Infiltration for Nitrogen Oxide Conversion. Journal of Nanoscience and Nanotechnology 2011, 11, 7956–7961.

Seidel, R. W.; Goddard, R.; Hoch, C.; Oppel, I. M. Structural Diversity of Metallosupramolecular Assemblies from Cu(phen)²⁺ (phen=1,10-Phenanthroline) Building Blocks and 4,4 '-Bipyridine. Zeitschrift für anorganische und allgemeine Chemie 2011, 637, 1545–1554.

Hickmann, V.; Kondoh, A.; Gabor, B.; Alcarazo, M.; Fürstner, A. Catalysis-Based and Protecting-Group-Free Total Syntheses of the Marine Oxylipins Hybridalactone and the Ecklonialactones A, B, and C. Journal of the American Chemical Society 2011, 133, 13471–13480.