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Hsiao, Y. W.; Thiel, W. PB(2) Intermediate of the Photoactive Yellow Protein: Structure and Excitation Energies. Journal of Physical Chemistry B 2011, 115, 2097–2106.

Huang, X.; Maulide, N. Sulfoxide-Mediated Alpha-Arylation of Carbonyl Compounds. Journal of the American Chemical Society 2011, 133, 8510–8513.

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Jäger, G.; Girfoglio, M.; Dollo, F.; Rinaldi, R.; Bongard, H.; Commandeur, U.; Fischer, R.; Spiess, A. C.; Büchs, J. How Recombinant Swollenin from Kluyveromyces Lactis Affects Cellulosic Substrates and Accelerates their Hydrolysis. Biotechnology for Biofuels 2011, 4, 33.

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Kazaryan, A.; Lan, Z. G.; Schäfer, L. V.; Thiel, W.; Filatov, M. Surface Hopping Excited-State Dynamics Study of the Photoisomerization of a Light-Driven Fluorene Molecular Rotary Motor. Journal of Chemical Theory and Computation 2011, 7, 2189–2199.

Khan, T. R.; Erbe, A.; Auinger, M.; Marlow, F.; Rohwerder, M. Electrodeposition of Zinc-Silica Composite Coatings: Challenges in Incorporating Functionalized Silica Particles into a Zinc Matrix. Science and Technology of Advanced Materials 2011, 12, 055005.

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Korth, M.; Thiel, W. Benchmarking Semiempirical Methods for Thermochemistry, Kinetics, and Noncovalent Interactions: OMx Methods Are Almost As Accurate and Robust As DFT-GGA Methods for Organic Molecules. Journal of Chemical Theory and Computation 2011, 7, 2929–2936.

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Kumar, D.; Thiel, W.; de Visser, S. P. Theoretical Study on the Mechanism of the Oxygen Activation Process in Cysteine Dioxygenase Enzymes. Journal of the American Chemical Society 2011, 133, 3869–3882.

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Lemak, A.; Gutmanas, A.; Chitayat, S.; Karra, M.; Farès, C.; Sunnerhagen, M.; Arrowsmith, C. H. A Novel Strategy for NMR Resonance Assignment and Protein Structure Determination. Journal of Biomolecular NMR 2011, 49, 27–38.

Liakos, D. G.; Hansen, A.; Neese, F. Weak Molecular Interactions Studied with Parallel Implementations of the Local Pair Natural Orbital Coupled Pair and Coupled Cluster Methods. Journal of Chemical Theory and Computation 2011, 7, 76–87.

Liang, F. Y.; Jiang, H. Q.; Luo, H. X.; Caro, J.; Feldhoff, A. Phase Stability and Permeation Behavior of a Dead-End Ba(0.5)Sr(0.5)Co(0.8)Fe(0.2)O(3-Delta) Tube Membrane in High-Purity Oxygen Production. Chemistry of Materials 2011, 23, 4765–4772.