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 34 (4-5), pp. 307 - 319 (2016)

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 144 (20), pp. 204113/1 - 204113/12 (2016)

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 12 (5), pp. 2272 - 2284 (2016)

Pupo, G.; Properzi, R.; List, B.: Asymmetric Catalysis with CO₂: The Direct α-Allylation of Ketones. Angewandte Chemie International Edition 55 (20), pp. 6099 - 6102 (2016)

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 55 (20), pp. 6051 - 6056 (2016)

Aravena, D.; Atanasov, M.; Neese, F.: Periodic Trends in Lanthanide Compounds through the Eyes of Multireference ab Initio Theory. Inorganic Chemistry 55 (9), pp. 4457 - 4469 (2016)

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 7, pp. 637 - 644 (2016)

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 40 (5), pp. 4361 - 4366 (2016)

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 9 (5), pp. 1460 - 1469 (2016)

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 26 (3), pp. 209 - 211 (2016)

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 18 (16), pp. 10688 - 10699 (2016)

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 18 (16), pp. 10739 - 10750 (2016)

Liao, S.; Leutzsch, M.; Monaco, M. R.; List, B.: Catalytic Enantioselective Conversion of Epoxides to Thiiranes. Journal of the American Chemical Society 138 (16), pp. 5230 - 5233 (2016)

Mayer-Gall, T.; Lee, J.-W.; Opwis, K.; List, B.; Gutmann, J. S.: Textile Catalysts-​An unconventional approach towards heterogeneous catalysis. ChemCatChem 8 (8), pp. 1428 - 1436 (2016)

Christian, G. J.; Neese, F.; Ye, S.: Unravelling the Molecular Origin of the Regiospecificity in Extradiol Catechol Dioxygenases. Inorganic Chemistry 55 (8), pp. 3853 - 3864 (2016)

Cromm, P. M.; Schaubach, S.; Spiegel, J.; Fürstner, A.; Grossmann, T. N.; Waldmann, H.: Orthogonal ring-closing alkyne and olefin metathesis for the synthesis of small GTPase-targeting bicyclic peptides. Nature Communications 7, 11300 (2016)

Pavošević, F.; Pinski, P.; Riplinger, C.; Neese, F.; Valeev, E. F.: SparseMaps—A systematic infrastructure for reduced-scaling electronic structure methods. IV. Linear-scaling second-order explicitly correlated energy with pair natural orbitals. The Journal of Chemical Physics 144 (14), 144109 (2016)

Boess, E.; Wolf, L. M.; Malakar, S.; Salamone , M.; Bietti, M.; Thiel, W.; Klussmann, M.: Competitive Hydrogen Atom Transfer to Oxyl- and Peroxyl Radicals in the Cu-Catalyzed Oxidative Coupling of N-Aryl Tetrahydroisoquinolines Using tert-Butyl Hydroperoxide. ACS Catalysis (6), pp. 3253 - 3261 (2016)

Hoover, A. J.; Lazari, M.; Ren, H.; Narayanam, M. K.; Murphy, J. M.; van Dam, R. M.; Hooker, J. M.; Ritter, T.: A Transmetalation Reaction Enables the Synthesis of [18F]5-Fluorouracil from [18F]Fluoride for Human PET Imaging. Organometallics 35 (7), pp. 1008 - 1014 (2016)

Hoover, A. J.; Lazari, M.; Ren, H.; Narayanam, M. K.; Murphy, J. M.; van Dam, R. M.; Hooker, J. M.; Ritter, T.: A Transmetalation Reaction Enables the Synthesis of [¹⁸F]5-Fluorouracil from [¹⁸F]Fluoride for Human PET Imaging. Organometallics 35 (7), pp. 1008 - 1014 (2016)