Journal Article (181)

2010
Journal Article
Schmidt, W.; Bussian, P.; Lindén, M.; Amenitsch, H.; Agren, P.; Tiemann, M.; Schüth, F. Accessing Ultrashort Reaction Times in Particle Formation with SAXS Experiments: ZnS Precipitation on the Microsecond Time Scale. Journal of the American Chemical Society 2010, 132, 6822–6826.
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Schüth, F. Paving the Way to New Energy Systems: The Key Role of the Chemical Sciences. ChemSusChem 2010, 3, 6–8.
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Schüth, F. Poröse Materialien im Überblick. Chemie Ingenieur Technik 2010, 82, 769–777.
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Schüth, F.; Wagemann, K. Kein Ausbau Erneuerbarer Energien ohne Chemische Technik. Chemie Ingenieur Technik 2010, 82, 175–175.
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Seidel, R. W.; Goddard, R.; Föcker, K.; Oppel, I. M. Supramolecular Isomerism of Self-Complementary Zinc-5,10,15,20-Tetra(4-Pyridyl)Porphyrin in the Presence of Dimethylformamide. CrystEngComm 2010, 12, 387–394.
Journal Article
Shaik, S.; Cohen, S.; Wang, Y.; Chen, H.; Kumar, D.; Thiel, W. P450 Enzymes: Their Structure, Reactivity, and Selectivity-Modeled by QM/MM Calculations. Chemical Reviews 2010, 110, 949–1017.
Journal Article
Silva-Junior, M. R.; Sauer, S. P. A.; Schreiber, M.; Thiel, W. Basis Set Effects on Coupled Cluster Benchmarks of Electronically Excited States: CC3, CCSDR(3) and CC2. Molecular Physics 2010, 108, 453–465.
Journal Article
Silva-Junior, M. R.; Schreiber, M.; Sauer, S. P. A.; Thiel, W. Benchmarks of Electronically Excited States: Basis Set Effects on CASPT2 Results. Journal of Chemical Physics 2010, 133, 174318.
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Silva-Junior, M. R.; Thiel, W. Benchmark of Electronically Excited States for Semiempirical Methods: MNDO, AM1, PM3, OM1, OM2, OM3, INDO/S, and INDO/S2. Journal of Chemical Theory and Computation 2010, 6, 1546–1564.
Journal Article
Sun, Q.; Doerr, M.; Li, Z.; Smith, S. C.; Thiel, W. QM/MM Studies of Structural and Energetic Properties of the Far-Red Fluorescent Protein HcRed. Physical Chemistry Chemical Physics 2010, 12, 2450–2458.
Journal Article
Tajvidi, K.; Ruppert, A.; Procelewska, J.; Kükrek, M.; Palkovits, R. Feste Katalysatoren für die Hydrogenolyse von Cellulose. Chemie Ingenieur Technik 2010, 82, 1440–1440.
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Trapp, O.; Sahraoui, L.; Hofstadt, W.; Könen, W. The Stereodynamics of 1,2-Dipropyldiaziridines. Chirality 2010, 22, 284–291.
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vom Stein, T.; Grande, P.; Sibilla, F.; Commandeur, U.; Fischer, R.; Leitner, W.; de Maria, P. D. Salt-Assisted Organic-Acid-Catalyzed Depolymerization of Cellulose. Green Chemistry 2010, 12, 1844–1849.
Journal Article
Weiss, V. C.; Heggen, B.; Müller-Plathe, F. Critical Parameters and Surface Tension of the Room Temperature Ionic Liquid [Bmim][PF₆]: A Corresponding-States Analysis of Experimental and New Simulation Data. Journal of Physical Chemistry C 2010, 114, 3599–3608.
Journal Article
Wu, S.; Acevedo, J. P.; Reetz, M. T. Induced Allostery in the Directed Evolution of an Enantioselective Baeyer-Villiger Monooxygenase. Proceedings of the National Academy of Sciences of the United States of America 2010, 107, 2775–2780.
Journal Article
Yachmenev, A.; Yurchenko, S. N.; Jensen, P.; Baum, O.; Giesen, T. F.; Thiel, W. Theoretical Rotation-Torsion Spectra of HSOH. Physical Chemistry Chemical Physics 2010, 12, 8387–8397.
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Yachmenev, A.; Yurchenko, S. N.; Paidarová, I.; Jensen, P.; Thiel, W.; Sauer, S. P. A. Thermal Averaging of the Indirect Nuclear Spin-Spin Coupling Constants of Ammonia: The Importance of the Large Amplitude Inversion Mode. Journal of Chemical Physics 2010, 132, 114305–114301-114305–114315.
Journal Article
Yurchenko, S. N.; Carvajal, M.; Yachmenev, A.; Thiel, W.; Jensen, P. A Theoretical-Spectroscopy, Ab Initio-Based Study of the Electronic Ground State of ¹²¹SbH₃. Journal of Quantitative Spectroscopy & Radiative Transfer 2010, 111, 2279–2290.
Journal Article
Zheng, H.; Kahakeaw, D.; Acevedo, J. P.; Reetz, M. T. Directed Evolution of Enantioconvergency: The Case of an Epoxide Hydrolase-Catalyzed Reaction of a Racemic Epoxide. ChemCatChem 2010, 2, 958–961.
Journal Article
Zheng, H.; Reetz, M. T. Manipulating the Stereoselectivity of Limonene Epoxide Hydrolase by Directed Evolution Based on Iterative Saturation Mutagenesis. Journal of the American Chemical Society 2010, 132, 15744–15751.
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