Journal Article (223)

2013
Journal Article
Lababidi, S.; Panda, S. K.; Andersson, J. T.; Schrader, W. Direct Coupling of Normal-Phase High-Performance Liquid Chromatography to Atmospheric Pressure Laser Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry for the Characterization of Crude Oil. Analytical Chemistry 2013, 85, 9478–9485.
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Liao, R.-Z.; Thiel, W. Convergence in the QM-only and QM/MM Modeling of Enzymatic Reactions: A Case Study for Acetylene Hydratase. Journal of Computational Chemistry 2013, 34, 2389–2397.
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Seidel, R. W.; Dietz, C.; Breidung, J.; Goddard, R.; Oppel, I. M. (Hexafluorosilicato-ƙ-2F,F')bis(1,10-Phenanthroline-ƙ2N,N')Zinc(II) Methanol Monosolvate. Acta Crystallographica, Section C: Crystal Structure Communications 2013, 69, 1112–1115.
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Riplinger, C.; Sandhoefer, B.; Hansen, A.; Neese, F. Natural Triple Excitations in Local Coupled Cluster Calculations with Pair Natural Orbitals. The Journal of Chemical Physics 2013, 139, 134101.
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Acevedo-Rocha, C. G.; Geiermann, A.-S.; Budisa, N.; Merkel, L. Design of Protein Congeners Containing Beta-Cyclopropylalanine. Molecular BioSystems 2013, 8, 2719–2723.
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Sager, U.; Schmidt, W.; Schmidt, F.; Suhartiningsih, S. Catalytic Reduction of Nitrogen Oxides Via Nanoscopic Oxide Catalysts Within Activated Carbons at Room Temperature. Adsorption-Journal of the International Adsorption Society 2013, 19, 1027–1033.
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Peng, B.; Geerdink, D.; Maulide, N. Electrophilic Rearrangements of Chiral Amides: A Traceless Asymmetric α-Allylation. Journal of the American Chemical Society 2013, 135, 14968–14971.
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Peng, B.; Maulide, N. The Redox-Neutral Approach to C-H Functionalization. Chemistry-a European Journal 2013, 19, 13274–13287.
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Mazzotti, A. R.; Campbell, M. G.; Tang, P.; Murphy, J. M.; Ritter, T. Palladium(III)-Catalyzed Fluorination of Arylboronic Acid Derivatives. Journal of the American Chemical Society 2013, 135, 14012–14015.
Journal Article
Pérez Navarro, M.; Ames, W. M.; Nilsson , H.; Lohmiller, T.; Pantazis, D. A.; Rapatskiy, L.; Nowaczyk, M. M.; Neese, F.; Boussac, A.; Messinger, J.; Lubitz, W.; Cox, N. Ammonia Binding to the Oxygen-Evolving Complex of Photosystem II Identifies the Solvent-Exchangeable Oxygen Bridge (μ-Oxo) of the Manganese Tetramer. Proceedings of the National Academy of Sciences of the United States of America 2013, 110, 15561–15566.
Journal Article
Cui, G.; Cao, X.-Y.; Fang, W.-H.; Dolg, M.; Thiel, W. Photoinduced Gold(I)–Gold(I) Chemical Bonding in Dicyanoaurate Oligomers. Angewandte Chemie 2013, 125, 10471–10475.
Journal Article
Cui, G.; Cao, X.-Y.; Fang, W.-H.; Dolg, M.; Thiel, W. Photoinduced Gold(I)–Gold(I) Chemical Bonding in Dicyanoaurate Oligomers. Angewandte Chemie International Edition 2013, 52, 10281–10285.
Journal Article
Krämer, T.; Kampa, M.; Lubitz, W.; van Gastel, M.; Neese, F. Theoretical Spectroscopy of the NiII Intermediate States in the Catalytic Cycle and the Activation of [NiFe] Hydrogenases. ChemBioChem: A European Journal of Chemical Biology 2013, 14, 1898–1905.
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Persich, P.; Llaveria, J.; Lhermet, R.; de Haro, T.; Stade, R.; Kondoh, A.; Fürstner, A. Increasing the Structural Span of Alkyne Metathesis. Chemistry – A European Journal 2013, 19, 13047–13058.
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Kungwan, N.; Daengngern, R.; Piansawan, T.; Hannongbua, S.; Barbatti, M. Theoretical Study on Excited-State Intermolecular Proton Transfer Reactions of 1H-Pyrrolo[3,2-h]Quinoline with Water and Methanol. Theoretical Chemistry Accounts 2013, 132, UNSP 1397.
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Fürstner, A. Teaching Metathesis “Simple” Stereochemistry. Science 2013, 341, 1229713–1229711-12297137–12297137.
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Li, F.; Bravo-Rodriguez, K.; Fernandez-Oliva, M.; Ramirez-Anguita, J. M.; Merz, K.; Winter, M.; Lehmann, C. W.; Sander, W.; Sanchez-Garcia, E. Stereochemistry Rules: A Single Stereocenter Changes the Conformation of a Cyclic Tetrapeptide. The Journal of Physical Chemistry B 2013, 117, 10785–10791.
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Marlow, F.; Sharifi, P.; Deng, T. S. Opal Shell Structures: Direct Assembly Versus Inversion Approach. Chemphyschem: a European journal of chemical physics and physical chemistry 2013, 14, 2893–2896.
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Polyak, I.; Boulanger, E.; Sen, K.; Thiel, W. A Microiterative Intrinsic Reaction Coordinate Method for Large QM/MM Systems. Physical Chemistry Chemical Physics 2013, 15, 14188–14195.
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Lee, J.-W.; Mayer-Gall, T.; Opwis, K.; Song, C. E.; Gutmann, J. S.; List, B. Organotextile Catalysis. Science 2013, 341, 1225–1229.
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