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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.

Inés, B.; Patil, M.; Carreras, J.; Goddard, R.; Thiel, W.; Alcarazo, M. Synthesis, Structure, and Reactivity of a Dihydrido Borenium Cation. Angewandte Chemie-International Edition 2011, 50, 8400–8403.

Ines, B.; Patil, M.; Carreras, J.; Goddard, R.; Thiel, W.; Alcarazo, M. Synthese, Struktur und Reaktivität eines Dihydridoboreniumkations. Angewandte Chemie 2011, 123, 8550–8553.

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.

Jia, C. J.; Schüth, F. Colloidal metal nanoparticles as a component of designed catalyst. Physical Chemistry Chemical Physics 2011, 13, 2457–2487.

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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Klussmann, M.; Sureshkumar, D. Catalytic Oxidative Coupling Reactions for the Formation of Carbon-Carbon Bonds without Carbon-Metal Intermediates. Synthesis 2011, 43, 353–369.

Korth, M. Empirical Hydrogen-Bond Potential FunctionsuAn Old Hat Reconditioned. ChemPhysChem 2011, 12, 3131–3142.

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.

Kühn, T. J.; Caliebe, W.; Matoussevitch, N.; Bönnemann, H.; Hormes, J. Site-selective X-ray absorption spectroscopy of cobalt nanoparticles. Applied Organometallic Chemistry 2011, 25, 577–584.

Kumar, D.; Altun, A.; Shaik, S.; Thiel, W. Water as biocatalyst in cytochrome P450. Faraday Discussions 2011, 148, 373–383.

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.

Lan, Z. G.; Lu, Y.; Fabiano, E.; Thiel, W. QM/MM Nonadiabatic Decay Dynamics of 9H-Adenine in Aqueous Solution. ChemPhysChem 2011, 12, 1989–1998.

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.