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Frihed, T. G.; Bols, M.; Pedersen, C. M. C–H Functionalization on Carbohydrates. European Journal of Organic Chemistry 2016, No. 16, 2740–2756.

Guo, Y.; Beyle, F. E.; Bold, B. M.; Watanabe, H. C.; Koslowski, A.; Thiel, W.; Hegemann, P.; Marazzi, M.; Elstner, M. Active Site Structure and Absorption Spectrum of Channelrhodopsin-2 Wild-Type and C128T Mutant. Chemical Science 2016, 7, 3879–3891.

Muldarisnur, M.; Marlow, F. Polarization Angular-Resolved Transmission Spectroscopy of Opal Films. Journal of Nonlinear Optical Physics & Materials 2016, 25, 1650015–1650011-1650015–1650012.

Sager, U.; Däubner, E.; Bathen, D.; Asbach, C.; Schmidt, F.; Tseng, J.-C.; Pommerin, A.; Weidenthaler, C.; Schmidt, W. Influence of the Degree of Infiltration of Modified Activated Carbons with CuO/ZnO on the Separation of NO₂ at Ambient Temperatures. Adsorption Science & Technology 2016, 34, 307–319.

Roemelt, M.; Guo, S.; Chang, G. K.-L. A Projected Approximation to Strongly Contracted N-Electron Valence Perturbation Theory for DMRG Wavefunctions. The Journal of Chemical Physics 2016, 144, 204113/1–204113/12.

Isegawa, M.; Neese, F.; Pantazis, D. A. Ionization Energies and Aqueous Redox Potentials of Organic Molecules: Comparison of DFT, Correlated Ab Initio Theory and Pair Natural Orbital Approaches. Journal of Chemical Theory and Computation 2016, 12, 2272–2284.

Pupo, G.; Properzi, R.; List, B. Asymmetric Catalysis with CO₂: The Direct α-Allylation of Ketones. Angewandte Chemie International Edition 2016, 55, 6099–6102.

Zhuo, C.-X.; Fürstner, A. Concise Synthesis of a Pateamine A Analogue with In Vivo Anticancer Activity Based on an Iron-Catalyzed Pyrone Ring Opening/Cross-Coupling. Angewandte Chemie International Edition 2016, 55, 6051–6056.

Aravena, D.; Atanasov, M.; Neese, F. Periodic Trends in Lanthanide Compounds through the Eyes of Multireference Ab Initio Theory. Inorganic Chemistry 2016, 55, 4457–4469.

Ganser, C.; Fritz-Popovski, G.; Morak, R.; Sharifi, P.; Marmiroli, B.; Sartori, B.; Amenitsch, H.; Griesser, T.; Teichert, C.; Paris, O. Cantilever Bending Based on Humidity-Actuated Mesoporous Silica/Silicon Bilayers. Beilstein Journal of Nanotechnology 2016, 7, 637–644.

Knossalla, J.; Mezzavilla, S.; Schüth, F. Continuous Synthesis of Nanostructured Silica Based Materials in a Gas–Liquid Segmented Flow Tubular Reactor. New Journal of Chemistry 2016, 40, 4361–4366.

Lu, A. H.; Zhang, X.-Q.; Sun, Q.; Zhang, Y.; Song, Q.; Schüth, F.; Chen, C.; Cheng, F. Precise Synthesis of Discrete and Dispersible Carbon-Protected Magnetic Nanoparticles for Efficient Magnetic Resonance Imaging and Photothermal Therapy. Nano Research 2016, 9, 1460–1469.

Vasilevskaya, T.; Khrenova, M. G.; Nemukhin, A. V.; Thiel, W. Reaction Mechanism of Matrix Metalloproteinases with a Catalytically Active Zinc Ion Studied by the QM(DFTB)/MM Simulations. Mendeleev Communications 2016, 26, 209–211.

Hugenbruch, S.; Shafaat, H. S.; Krämer, T.; Delgado-Jaime, M. U.; Weber, K.; Neese, F.; Lubitz, W.; DeBeer, S. In Search of Metal Hydrides: an X-Ray Absorption and Emission Study of [NiFe] Hydrogenase Model Complexes. Physical Chemistry Chemical Physics 2016, 18, 10688–10699.

Krewald, V.; Neese, F.; Pantazis, D. A. Redox Potential Tuning by Redox-Inactive Cations in Nature's Water Oxidizing Catalyst and Synthetic Analogues. Physical Chemistry Chemical Physics 2016, 18, 10739–10750.

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Christian, G. J.; Neese, F.; Ye, S. Unravelling the Molecular Origin of the Regiospecificity in Extradiol Catechol Dioxygenases. Inorganic Chemistry 2016, 55, 3853–3864.