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Chen, K.; Deng, X.; Goddard, R.; Tüysüz, H. Pseudomorphic Transformation of Organometal Halide Perovskite Using the Gaseous Hydrogen Halide Reaction. Chemistry of Materials 2016, 28, 5530–5537.

Vasilevskaya, T.; Thiel, W. Periodic Boundary Conditions in QM/MM Calculations: Implementation and Tests. Journal of Chemical Theory and Computation 2016, 12, 3561–3570.

Sivalingam, K.; Krupicka, M.; Auer, A. A.; Neese, F. Comparison of fully internally and strongly contracted multireference configuration interaction procedures. The Journal of Chemical Physics 2016, 145, 054104.

Ramírez-Contreras, R.; Morandi, B. Chemo- and Regioselective Functionalization of Polyols through Catalytic C(sp³)–C(sp³) Kumada-Type Coupling of Cyclic Sulfate Esters. Organic Letters 2016, 18, 3718–3721.

Das, S.; Liu, L.; Zheng, Y.; Alachraf, M. W.; Thiel, W.; De, C. K.; List, B. Nitrated Confined Imidodiphosphates Enable a Catalytic Asymmetric Oxa-Pictet–Spengler Reaction. Journal of the American Chemical Society 2016, 138, 9429–9432.

Gu, D.; Tseng, J.-C.; Weidenthaler, C.; Bongard, H.-J.; Spliethoff, B.; Schmidt, W.; Soulimani, F.; Weckhuysen, B. M.; Schüth, F. Gold on Different Manganese Oxides: Ultra-Low-Temperature CO Oxidation over Colloidal Gold Supported on Bulk-MnO₂ Nanomaterials. Journal of the American Chemical Society 2016, 138, 9572–9880.

Pollak, D.; Goddard, R.; Pörschke, K.-R. Cs[H₂NB₂(C₆F₅)₆] Featuring an Unequivocal 16-Coordinate Cation. Journal of the American Chemical Society 2016, 138, 9444–9451.

Fürstner, A. Base-Metal Catalysis Marries Utilitarian Aspects with Academic Fascination. Advanced Synthesis & Catalysis 2016, 358, 2362–2363.

Prina Cerai, G.; Morandi, B. Atom-economical cobalt-catalysed regioselective coupling of epoxides and aziridines with alkenes. Chemical Communications 2016, 52, 9769–9772.

Tindall, D. J.; Krause, H.; Fürstner, A. Iron-Catalyzed Cross-Coupling of 1-Alkynylcyclopropyl Tosylates and Related Substrates. Advanced Synthesis & Catalysis 2016, 358, 2398–2403.

Konkena, B.; junge Puring, K.; Sinev, I.; Piontek, S.; Khavryuchenko, O.; Durholt, J. P.; Schmid, R.; Tüysüz, H.; Muhler, M.; Schuhmann, W.; Apfel, U.-P. Pentlandite rocks as sustainable and stable efficient electrocatalysts for hydrogen generation. Nature Communications 2016, 7, 12269.

Rohmann, K.; Kothe, J.; Haenel, M.; Englert, U.; Hölscher, M.; Leitner, W. Hydrogenation of CO₂ to Formic Acid with a Highly Active Ruthenium Acriphos Complex in DMSO and DMSO/Water. Angewandte Chemie International Edition 2016, 55, 8966–8969.

Tap, A.; Blond, A.; Wakchaure, V. N.; List, B. Chiral Allenes via Alkynylogous Mukaiyama Aldol Reaction. Angewandte Chemie International Edition 2016, 55, 8962–8965.

Wang, G.; Cao, Z.; Gu, D.; Pfänder, N.; Swertz, A.-C.; Spliethoff, B.; Bongard, H.-J.; Weidenthaler, C.; Schmidt, W.; Rinaldi, R.; Schüth, F. Nitrogen-Doped Ordered Mesoporous Carbon Supported Bimetallic PtCo Nanoparticles for Upgrading of Biophenolics. Angewandte Chemie International Edition 2016, 55, 8850–8855.

Drosos, N.; Özkal, E.; Morandi, B. Catalytic Selective Deoxygenation of Polyols Using the B(C₆F₅)₃/Silane System. Synlett 2016, 27, 1760–1764.

Dutta, A. K.; Neese, F.; Izsák, R. Towards a pair natural orbital coupled cluster method for excited states. The Journal of Chemical Physics 2016, 145, 034102.

Tamanaha, E.; Zhang, B.; Guo, Y.; Chang, W.-chen; Barr, E. W.; Xing, G.; St. Clair, J.; Ye, S.; Neese, F.; Bollinger Jr., J. M.; Krebs, C. Spectroscopic Evidence for the Two C–H-Cleaving Intermediates of Aspergillus nidulans Isopenicillin N Synthase. Journal of the American Chemical Society 2016, 138, 8862–8874.

Vasilevskaya, T.; Khrenova, M. G.; Nemukhin, A. V.; Thiel, W. Methodological aspects of QM/MM calculations: A case study on matrix metalloproteinase-2. Journal of Computational Chemistry 2016, 37, 1801–1809.

Bistoni, G.; Belanzoni, P.; Belpassi, L.; Tarantelli, F. π Activation of Alkynes in Homogeneous and Heterogeneous Gold Catalysis. The Journal of Physical Chemistry A 2016, 120, 5239–5247.