Gausepohl, R.; Buskens, P.; Kleinen, J.; Bruckmann, A.; Lehmann, C. W.; Klankermayer, J.; Leitner, W. Highly Enantioselective Aza‐Baylis–Hillman Reaction in a Chiral Reaction Medium. Angewandte Chemie International Edition 2006, 45, 3689–3692.

Fürstner, A.; Aïssa, C. PtCl₂-Catalyzed Rearrangement of Methylenecyclopropanes. Journal of the American Chemical Society 2006, 128, 6306–6307.

Arnal, P. M.; Weidenthaler, C.; Schüth, F. Highly Monodisperse Zirconia-Coated Silica Spheres and Zirconia/Silica Hollow Spheres with Remarkable Textural Properties. Chemistry of Materials 2006, 18, 2733–2739.

Christmann, U.; Pantazis, D. A.; Benet-Buchholz, J.; McGrady, J. E.; Maseras, F.; Vilar, R. Experimental and Theoretical Investigations of New Dinuclear Palladium Complexes as Precatalysts for the Amination of Aryl Chlorides. Journal of the American Chemical Society 2006, 128, 6376–6390.

Kapre, R.; Ray, K.; Sylvestre, I.; Weyhermüller, T.; DeBeer George, S.; Neese, F.; Wieghardt, K. Molecular and Electronic Structures of Oxo-bis(Benzene-1,2-Dithiolato)Chromate(V) Monoanions. A Combined Experimental and Density Functional Study. Inorganic Chemistry 2006, 45, 3499–3509.

Weidenthaler, C.; Frankcombe, T. J.; Felderhoff, M. First Crystal Structure Studies of CaAlH₅. Inorganic Chemistry 2006, 45, 3849–3851.

Ritzkopf, I.; Vukojević, S.; Weidenthaler, C.; Grunwaldt, J.-D.; Schüth, F. Decreased CO Production in Methanol Steam Reforming over Cu/ZrO₂ Catalysts Prepared by the Microemulsion Technique. Applied Catalysis A: General 2006, 302, 215–223.

Pelster, S. A.; Schrader, W.; Schüth, F. Monitoring Temporal Evolution of Silicate Species during Hydrolysis and Condensation of Silicates Using Mass Spectrometry. Journal of the American Chemical Society 2006, 128, 4310–4317.

Petrenko, T.; Ray, K.; Wieghardt, K. E.; Neese, F. Vibrational Markers for the Open-Shell Character of Transition Metal Bis-Dithiolenes:  An Infrared, Resonance Raman, and Quantum Chemical Study. Journal of the American Chemical Society 2006, 128, 4422–4436.

Fürstner, A.; Hannen, P. Platinum- and Gold-Catalyzed Rearrangement Reactions of Propargyl Acetates: Total Syntheses of (-)-α-Cubebene, (-)-Cubebol, Sesquicarene and Related Terpenes. Chemistry – A European Journal 2006, 12, 3006–3019.

Nagabhushana, K. S.; Weidenthaler, C.; Hočevar, S.; Strmčnik, D.; Gaberšček, M.; Antozzi, A. L.; Martelli, G. N. Preparation, Characterization and Properties of Pt-Cu Co-Reduced and Pt-on-Cu Skin Type Bimetallic Carbon-Supported (Vulcan XC72) Electrocatalysts. Journal of New Materials for Electrochemical Systems 2006, 9, 73–81.

Neese, F. Theoretical Spectroscopy of Model-Nonheme [Fe(IV)OL₅]²⁺ Complexes in their Lowest Triplet and Quintet States Using Multireference Ab Initio and Density Functional Theory Methods. Journal of Inorganic Biochemistry 2006, 100, 716–726.

Rufińska, A.; Goddard, R.; Weidenthaler, C.; Bühl, M.; Pörschke, K.-R. Structural Properties and Dynamics of Five-Coordinate Nickel(II)−π-Allyl Complexes Containing Monodentate Phosphorus Ligands. Organometallics 2006, 25, 2308–2330.

Berry, J. F.; Bill, E.; García-Serres, R.; Neese, F.; Weyhermüller, T.; Wieghardt, K. Effect of N-Methylation of Macrocyclic Amine Ligands on the Spin State of Iron(III):  A Tale of Two Fluoro Complexes. Inorganic Chemistry 2006, 45, 2027–2037.

Neese, F.; Schmatz, S.; Hättig, C. Theoretische Chemie 2005. Nachrichten aus der Chemie 2006, 54, 276–281.

Pantazis, D. A.; McGrady, J. E. A Three-State Model for the Polymorphism in Linear Tricobalt Compounds. Journal of the American Chemical Society 2006, 128, 4128–4135.

Smått, J.-H.; Weidenthaler, C.; Rosenholm, J. B.; Lindén, M. Hierarchically Porous Metal Oxide Monoliths Prepared by the Nanocasting Route. Chemistry of Materials 2006, 18, 1443–1450.

List, B. The Ying and Yang of Asymmetric Aminocatalysis. Chemical Communications 2006, 2006, 819–824.

Farès, C.; Libich, D. S.; Harauz, G. Solution NMR Structure of an Immunodominant Epitope of Myelin Basic Protein. The FEBS Journal 2006, 273, 601–614.

Kababya, S.; Nelson, J.; Calle, C.; Neese, F.; Goldfarb, D. Electronic Structure of Binuclear Mixed Valence Copper Azacryptates Derived from Integrated Advanced EPR and DFT Calculations. Journal of the American Chemical Society 2006, 128, 2017–2029.