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Dral, P. O.; Wu, X.; Spörkel, L.; Koslowski, A.; Thiel, W.: Semiempirical Quantum-Chemical Orthogonalization-Corrected Methods: Benchmarks for Ground-State Properties. Journal of Chemical Theory and Computation 12 (3), S. 1097 - 1120 (2016)

Dral, P. O.; Wu, X.; Spörkel, L.; Koslowski, A.; Weber, W.; Steiger, R.; Scholten, M.; Thiel, W.: Semiempirical Quantum-Chemical Orthogonalization-Corrected Methods: Theory, Implementation, and Parameters. Journal of Chemical Theory and Computation 12 (3), S. 1082 - 1096 (2016)

Guo, Y.; Sivalingam, K.; Valeev, E. F.; Neese, F.: SparseMaps—A systematic infrastructure for reduced-scaling electronic structure methods. III. Linear-scaling multireference domain-based pair natural orbital N-electron valence perturbation theory. The Journal of Chemical Physics 144 (9), 094111 (2016)

Gnutt, D.; Ebbinghaus, S.; Heyden, M.: Vom Reagenzglas in die Zelle. Nachrichten aus der Chemie 64 (3), S. 310 - 313 (2016)

Monaco, M. R.; Properzi, R.; List, B.: An Approach to Highly Hindered BINOL Phosphates. Synlett 27 (4), S. 591 - 594 (2016)

Klankermayer, J.; Leitner, W.: Harnessing renewable energy with CO₂ for the chemical value chain: challenges and opportunities for catalysis. Philosophical Transactions of the Royal Society A 374 (2061), 20150315 (2016)

Gatzenmeier, T.; van Gemmeren, M.; Xie, Y.; Höfler, D.; Leutzsch, M.; List, B.: Asymmetric Lewis acid organocatalysis of the Diels-Alder reaction by a silylated C-H acid. Science 351 (6276), S. 949 - 952 (2016)

Heggen, B.; Thiel, W.: Theoretical investigation on the mechanism of iron catalyzed cross coupling reactions via ferrate intermediates. Journal of Organometallic Chemistry 804, S. 42 - 47 (2016)

Krone, K. M.; Warias, R.; Ritter, C.; Li, A.; Acevedo-Rocha, C. G.; Reetz, M. T.; Belder, D.: Analysis of Enantioselective Biotransformations Using a Few Hundred Cells on an Integrated Microfluidic Chip. Journal of the American Chemical Society 138 (7), S. 2102 - 2105 (2016)

Deng, X.; Bongard, H.-J.; Chan, C. K.; Tüysüz, H.: Dual-Templated Cobalt Oxide for Photochemical Water Oxidation. ChemSusChem 9 (4), S. 409 - 415 (2016)

Fang, X.; Peng, Y.; Morandi, B.: Catalytic reversible alkene-nitrile interconversion through controllable transfer hydrocyanation. Science 351 (6275), S. 832 - 836 (2016)

Frihed, T. G.; Fürstner, A.: Progress in the trans-Reduction and trans-Hydrometalation of Internal Alkynes. Applications to Natural Product Synthesis. Bulletin of the Chemical Society of Japan 89 (2), S. 135 - 160 (2016)

Grewe, T.; Tüysüz, H.: Alkali metals incorporated ordered mesoporous tantalum oxide with enhanced photocatalytic activity for water splitting. Journal of Materials Chemistry A 4 (8), S. 3007 - 3017 (2016)

Grewe, T.; Yang, T.; Tüysüz, H.; Chan, C. K.: Hyperbranched potassium lanthanum titanate perovskite photocatalysts for hydrogen generation. Journal of Materials Chemistry A 4 (8), S. 2837 - 2841 (2016)

Rechkemmer, Y.; Breitgoff, F. D.; van der Meer, M.; Atanasov, M.; Hakl, M.; Orlita, M.; Neugebauer, P.; Neese, F.; Sarkar, B.; van Slageren, J.: A four-coordinate cobalt(II) single-ion magnet with coercivity and a very high energy barrier. Nature Communications 7, 10467 (2016)

Costa, P.; Lohmiller, T.; Trosien, I.; Savitsky, A.; Lubitz, W.; Fernandez-Oliva, M.; Sanchez-Garcia, E.; Sander, W.: Light and Temperature Control of the Spin State of Bis(p-methoxyphenyl)carbene: a Magnetically Bistable Carbene. Journal of the American Chemical Society 138 (5), S. 1622 - 1629 (2016)

Henkel, S.; Costa, P.; Klute, L.; Sokkar, P.; Fernandez-Oliva, M.; Thiel, W.; Sanchez-Garcia, E.; Sander, W.: Switching the Spin State of Diphenylcarbene via Halogen Bonding. Journal of the American Chemical Society 138 (5), S. 1689 - 1697 (2016)

Liu, X.-Y.; Chang, X.-P.; Xia, S.-H.; Cui, G.; Thiel, W.: Excited-State Proton-Transfer-Induced Trapping Enhances the Fluorescence Emission of a Locked GFP Chromophore. Journal of Chemical Theory and Computation 12 (2), S. 753 - 764 (2016)

Haldón, E.; Kozma, Á.; Tinnermann, H.; Gu, L.; Goddard, R.; Alcarazo, M.: Synthesis and reactivity of α-cationic phosphines: the effect of imidazolinium and amidinium substituents. Dalton Transactions 45 (5), S. 1872 - 1876 (2016)