Journal Article (217)

2016
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Bistoni, G.; Belpassi, L.; Tarantelli, F. Advances in Charge Displacement Analysis. Journal of Chemical Theory and Computation 2016, 12, 1236–1244.
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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 2016, 12, 1097–1120.
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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 2016, 12, 1082–1096.
Journal Article
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 2016, 144, 094111.
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Gnutt, D.; Ebbinghaus, S.; Heyden, M. Vom Reagenzglas in die Zelle. Nachrichten aus der Chemie 2016, 64, 310–313.
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Monaco, M. R.; Properzi, R.; List, B. An Approach to Highly Hindered BINOL Phosphates. Synlett 2016, 27, 591–594.
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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 2016, 374, 20150315.
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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 2016, 351, 949–952.
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Heggen, B.; Thiel, W. Theoretical Investigation on the Mechanism of Iron Catalyzed Cross Coupling Reactions Via Ferrate Intermediates. Journal of Organometallic Chemistry 2016, 804, 42–47.
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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 2016, 138, 2102–2105.
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Deng, X.; Bongard, H.-J.; Chan, C. K.; Tüysüz, H. Dual-Templated Cobalt Oxide for Photochemical Water Oxidation. ChemSusChem 2016, 9, 409–415.
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Fang, X.; Peng, Y.; Morandi, B. Catalytic Reversible Alkene-Nitrile Interconversion through Controllable Transfer Hydrocyanation. Science 2016, 351, 832–836.
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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 2016, 89, 135–160.
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Grewe, T.; Tüysüz, H. Alkali Metals Incorporated Ordered Mesoporous Tantalum Oxide with Enhanced Photocatalytic Activity for Water Splitting. Journal of Materials Chemistry A 2016, 4, 3007–3017.
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Grewe, T.; Yang, T.; Tüysüz, H.; Chan, C. K. Hyperbranched Potassium Lanthanum Titanate Perovskite Photocatalysts for Hydrogen Generation. Journal of Materials Chemistry A 2016, 4, 2837–2841.
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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 2016, 7, 10467.
Journal Article
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 2016, 138, 1622–1629.
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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 2016, 138, 1689–1697.
Journal Article
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 2016, 12, 753–764.
Journal Article
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 2016, 45, 1872–1876.
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