Journal Article (221)

2015
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James, T.; van Gemmeren, M.; List, B. Development and Applications of Disulfonimides in Enantioselective Organocatalysis. Chemical Reviews 2015, 115, 9388–9409.
Journal Article
Liakos, D. G.; Neese, F. Is It Possible To Obtain Coupled Cluster Quality Energies at Near Density Functional Theory Cost? Domain-Based Local Pair Natural Orbital Coupled Cluster Vs Modern Density Functional Theory. Journal of Chemical Theory and Computation 2015, 11, 4054–4063.
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Großmann, D.; Dreier, A.; Lehmann, C. W.; Grünert, W. Methanol Synthesis over Cu–ZnO Aggregates Supported on Carbon Nanotubes. Applied Catalysis A 2015, 504, 351–360.
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Ley, M. B.; Meggouh, M.; Moury, R.; Peinecke, K.; Felderhoff, M. Development of Hydrogen Storage Tank Systems Based on Complex Metal Hydrides. Materials 2015, 8, 5891–5921.
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Vliegenthart, A. B.; Welling, F. A. L.; Roemelt, M.; Klein Gebbink, R. J. M.; Otte, M. Synthesis and Characterization of a Brønsted Pair Functionalized Shape-Persistent Macrocycle. Organic Letters 2015, 17, 4172–4175.
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Nunes de Oliveira, H. F.; Farès, C.; Rinaldi, R. Beyond a Solvent: the Roles of 1-Butyl-3-Methylimidazolium Chloride in the Acid-Catalysis for Cellulose Depolymerisation. Chemical Science 2015, 6, 5215–5224.
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Vetere, A.; Schrader, W. 1- And 2-Photon Ionization for Online FAIMS-FTMS Coupling Allows New Insights into the Constitution of Crude Oils. Analytical Chemistry 2015, 87, 8874–8879.
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Al-Afyouni, M. H.; Suturina, E.; Pathak, S.; Atanasov, M.; Bill, E.; DeRosha, D. E.; Brennessel, W. W.; Neese, F.; Holland, P. L. Spin Isomers and Ligand Isomerization in a Three-Coordinate Cobalt(I) Carbonyl Complex. Journal of the American Chemical Society 2015, 137, 10689–10699.
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Ilg, M. K.; Wolf, L. M.; Mantilli, L.; Farès, C.; Thiel, W.; Fürstner, A. A Striking Case of Enantioinversion in Gold Catalysis and Its Probable Origins. Chemistry – A European Journal 2015, 21, 12279–12284.
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Azzopardi, K. M.; Bistoni, G.; Ciancaleoni, G.; Tarantelli, F.; Zuccaccia, D.; Belpassi, L. Quantitative Assessment of the Carbocation/Carbene Character of the Gold–Carbene Bond. Dalton Transactions 2015, 44, 13999–14007.
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Lump, E.; Castellano, L. M.; Meier, C.; Seeliger, J.; Erwin, N.; Sperlich, B.; Stürzel, C. M.; Usmani, S.; Hammond, R. M.; von Einem, J.; Gerold, G.; Kreppel, F.; Bravo-Rodriguez, K.; Pietschmann, T.; Holmes, V. M.; Palesch, D.; Zirafi, O.; Weissman, D.; Sowislok, A.; Kirchhoff, F.; Weil, T.; Klärner, F.-G.; Schrader, T.; Bitan, G.; Sanchez-Garcia, E.; Winter, R.; Shorter, J.; Münch, J. A Molecular Tweezer Antagonizes Seminal Amyloids and HIV Infection. eLife 2015, 4:e05397.
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McNeill, E.; Ritter, T. 1,4-Functionalization of 1,3-Dienes With Low-Valent Iron Catalys. Accounts of Chemical Research 2015, 48, 2330–2343.
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Ogata, H.; Krämer, T.; Wang, H.; Schilter, D.; Pelmenschikov, V.; van Gastel, M.; Neese, F.; Rauchfuss, T. B.; Gee, L. B.; Scott, A. D.; Yoda, Y.; Tanaka, Y.; Lubitz, W.; Cramer, S. P. Hydride Bridge in [NiFe]-Hydrogenase Observed by Nuclear Resonance Vibrational Spectroscopy. Nature Communications 2015, 6, 7890.
Journal Article
Escudero, D.; Thiel, W.; Champagne, B. Spectroscopic and Second-Order Nonlinear Optical Properties of Ruthenium(II) Complexes: a DFT/MRCI and ADC(2) Study. Physical Chemistry Chemical Physics 2015, 17, 18908–18912.
Journal Article
Vasilevskaya, T.; Khrenova, M. G.; Nemukhin, A. V.; Thiel, W. Mechanism of Proteolysis in Matrix Metalloproteinase-2 Revealed by QM/MM Modeling. Journal of Computational Chemistry 2015, 36, 1621–1630.
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Mondal, B.; Neese, F.; Ye, S. Control in the Rate-Determining Step Provides a Promising Strategy To Develop New Catalysts for CO2 Hydrogenation: A Local Pair Natural Orbital Coupled Cluster Theory Study. Inorganic Chemistry 2015, 54, 7192–7198.
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Reetz, M. T.; Sun, Z.; Ilie, A. Towards the Production of Universal Blood by Structure-Guided Directed Evolution of Glycoside Hydrolases. Angewandte Chemie International Edition 2015, 54, 9158–9160.
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Sundararajan, M.; Neese, F. Distal Histidine Modulates the Unusual O-Binding of Nitrite to Myoglobin: Evidence from the Quantum Chemical Analysis of EPR Parameters. Inorganic Chemistry 2015, 54, 7209–7217.
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Ungeheuer, F.; Fürstner, A. Concise Total Synthesis of Ivorenolide B. Chemistry – A European Journal 2015, 21, 11387–11392.
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Prieto, G.; Schüth, F. Bridging the Gap between Insightful Simplicity and Successful Complexity: From Fundamental Studies on Model Systems to Technical Catalysts. Journal of Catalysis 2015, 328, 59–71.
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