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García Serres, R.; Grapperhaus, C. A.; Bothe, E.; Bill, E.; Weyhermüller, T.; Neese, F.; Wieghardt, K. Structural, Spectroscopic, and Computational Study of an Octahedral, Non-Heme {Fe−NO}^6-8 Series:  [Fe(NO)(cyclam-ac)]^2+/+/0. Journal of the American Chemical Society 2004, 126, 5138–5153.

Karafilidis, C.; Hermann, H.; Rufiñska, A.; Gabor, B.; Mynott, R. J.; Breitenbruch, G.; Weidenthaler, C.; Rust, J.; Joppek, W.; Brookhart, M. S.; Thiel, W.; Fink, G. Metallocene‐Catalyzed C7‐Linkage in the Hydrooligomerization of Norbornene by σ‐Bond Metathesis: Insight into the Microstructure of Polynorbornene. Angewandte Chemie International Edition 2004, 43, 2444–2446.

List, B.; Hoang, L.; Martin, H. J. New mechanistic studies on the proline-catalyzed aldol reaction. Proceedings of the National Academy of Sciences of the United States of America 2004, 101, 5839–5842.

Neese, F. Definition of corresponding orbitals and the diradical character in broken symmetry DFT calculations on spin coupled systems. Journal of Physics and Chemistry of Solids 2004, 65, 781–785.

Sinnecker, S.; Neese, F.; Noodleman, L.; Lubitz, W. Calculating the Electron Paramagnetic Resonance Parameters of Exchange Coupled Transition Metal Complexes Using Broken Symmetry Density Functional Theory:  Application to a Mn^III/Mn^IV Model Compound. Journal of the American Chemical Society 2004, 126, 2613–2622.

Farès, C.; Davis, J. H. The Effects of Dynamics on Solid-State NMR of Membrane Properties. Physics in Canada 2004, 60, 151–156.

Fürstner, A. Total Syntheses and Biological Assessment of Macrocyclic Glycolipids. European Journal of Organic Chemistry 2004, Nr. 5, 943–958.

Kirillov, E.; Lehmann, C. W.; Razavi, A.; Carpentier, J.-F. [η⁵:η¹-(3,6-tBu₂Flu)SiMe₂NtBu]Y(η¹ -NC₅H₆)(py)₂: A 1,4-Hydride-Addition Product to Pyridine that Provides Evidence for the First Fluorenyl(hydrido)metal (Group 3) Complex. European Journal of Inorganic Chemistry 2004, 2004, 943–945.

Sinnecker, S.; Reijerse, E. J.; Neese, F.; Lubitz, W. Hydrogen Bond Geometries from Electron Paramagnetic Resonance and Electron−Nuclear Double Resonance Parameters:  Density Functional Study of Quinone Radical Anion−Solvent Interactions. Journal of the American Chemical Society 2004, 126, 3280–3290.

Cai, C.-X.; Amgoune, A.; Lehmann, C. W.; Carpentier, J.-F. Stereoselective ring-opening polymerization of racemic lactide using alkoxy-amino-bis(phenolate) group 3 metal complexes. Chemical Communications 2004, Nr. 3, 330–331.

Rinaldi, R.; Sepulveda, J.; Schuchardt, U. Cyclohexene and Cyclooctene Epoxidation with Aqueous Hydrogen Peroxide using Transition Metal-Free Sol-Gel Alumina as Catalyst. Advanced Synthesis & Catalysis 2004, 346, 281–285.

van Gastel, M.; Lubitz, W.; Lassmann, G.; Neese, F. Electronic Structure of the Cysteine Thiyl Radical:  A DFT and Correlated ab Initio Study. Journal of the American Chemical Society 2004, 126, 2237–2246.

Fürstner, A.; Ruiz-Caro, J.; Prinz, H.; Waldmann, H. Structure Assignment, Total Synthesis, and Evaluation of the Phosphatase Modulating Activity of Glucolipsin A. The Journal of Organic Chemistry 2004, 69, 459–467.

Alberti, D.; Pörschke, K.-R. Thallium perfluorotetraphenylborate. Organometallics 2004, 23, 1459–1460.

Alexiadis, A.; Andes, C.; Ferrari, D.; Korber, F.; Hauschild, K.; Bochmann, M.; Fink, G. Mathematical modeling of homopolymerization on supported metallocene catalysts. Macromolecular Materials and Engineering 2004, 289, 457–466.

Altenhoff, G.; Glorius, F. A domino copper-catalyzed C-N and C-O cross-coupling for the conversion of primary amides into benzoxazoles. Advanced Synthesis & Catalysis 2004, 346, 1661–1664.

Areva, S.; Boissière, C.; Grosso, D.; Asakawa, T.; Sanchez, C.; Lindén, M. One-pot aerosol synthesis of ordered hierarchical mesoporous core-shell silica nanoparticles. Chemical Communications (Cambridge, U. K.) 2004, Nr. 14, 1630–1631.

Bellosta von Colbe, J. M.; Bogdanović, B.; Felderhoff, M.; Pommerin, A.; Schüth, F. Recording of hydrogen evolution - a way for controlling the doping process of sodium alanate by ball milling. Journal of Alloys and Compounds 2004, 370, 104–109.

Bocola, M.; Otte, N.; Jaeger, K.-E.; Reetz, M. T.; Thiel, W. Learning from directed evolution: Theoretical investigations into cooperative mutations in lipase enantioselectivity. ChemBioChem 2004, 5, 214–223.