Journal Article (157)

2008
Journal Article
Mladenovic, M.; Fink, R. F.; Thiel, W.; Schirmeister, T.; Engels, B. On the Origin of the Stabilization of the Zwitterionic Resting State of Cysteine Proteases: A Theoretical Study. Journal of the American Chemical Society 2008, 130, 8696–8705.
Journal Article
Mladenovic, M.; Junold, K.; Fink, R. F.; Thiel, W.; Schirmeister, T.; Engels, B. Atomistic Insights into the Inhibition of Cysteine Proteases: First QM/MM Calculations Clarifying the Regiospecificity and the Inhibition Potency of Epoxide- and Aziridine-Based Inhibitors. Journal of Physical Chemistry B 2008, 112, 5458–5469.
Journal Article
Ogata, H.; Agrawal, A. G.; Kaur, A. P.; Goddard, R.; Gärtner, W.; Lubitz, W. Purification, Crystallization and Preliminary X-Ray Analysis of Adenylylsulfate Reductase from Desulfovibrio Vulgaris Miyazaki F. Acta Crystallographica Section F-Structural Biology and Crystallization Communications 2008, 64, 1010–1012.
Journal Article
Olejnik, S.; Baltes, C.; Muhler, M.; Schüth, F. Parallelized N₂O Frontal Chromatography for the Fast Determination of Copper Surface Areas. Journal of Combinatorial Chemistry 2008, 10, 387–390.
Journal Article
Ovsyannikov, R. I.; Melnikov, V. V.; Thiel, W.; Jensen, P.; Baum, O.; Giesen, T. F.; Yurchenko, S. N. Theoretical Rotation-Torsion Energies of HSOH. Journal of Chemical Physics 2008, 129, 154314.
Journal Article
Ovsyannikov, R. I.; Thiel, W.; Yurchenko, S. N.; Carvajal, M.; Jensen, P. PH₃ Revisited: Theoretical Transition Moments for the Vibrational Transitions below 7000 Cm⁻¹. Journal of Molecular Spectroscopy 2008, 252, 121–128.
Journal Article
Ovsyannikov, R. I.; Thiel, W.; Yurchenko, S. N.; Carvajal, M.; Jensen, P. Vibrational Energies of PH₃ Calculated Variationally at the Complete Basis Set Limit. Journal of Chemical Physics 2008, 129, 044309.
Journal Article
Palkovits, R.; Nieddu, I.; Kruithof, C. A.; Gebbink, R. J. M. K.; Weckhuysen, B. M. Palladium-Based Telomerization of 1,3-Butadiene with Glycerol Using Methoxy-Functionalized Triphenylphosphine Ligands. Chemistry-A European Journal 2008, 14, 8995–9005.
Journal Article
Pantazis, D. A.; Murillo, C. A.; McGrady, J. E. A Re-Evaluation of the Two-Step Spin Crossover in the Trinuclear Cation [Co3(Dipyridylamido)4Cl2]+. Dalton Transactions 2008, No. 5, 608–614.
Journal Article
Pareek, A.; Torrelles, X.; Angermund, K.; Rius, J.; Magdans, U.; Gies, H. Structure of Interfacial Water on Fluorapatite (100) Surface. Langmuir 2008, 24, 2459–2464.
Journal Article
Pavel, C. C.; Palkovits, R.; Schüth, F.; Schmidt, W. The Benefit of Mesopores in ETS-10 on the Vapor-Phase Beckmann Rearrangement of Cyclohexanone Oxime. Journal of Catalysis 2008, 254, 84–90.
Journal Article
Pommerin, A.; Felderhoff, M.; Goddard, R.; Weidenthaler, C. Crystal Structure of bis(Diglyme-O,O′,O″)bis((μ2-Deutero)- Trideuteroaluminato-D)Calcium, Ca(AlD4)2(C6H14O3)2. Zeitschrift für Kristallographie - New Crystal Structures 2008, 223, 67–68.
Journal Article
Popa, I.; Marlow, F. Post-Deposition Opal Evolution. ChemPhysChem 2008, 9, 1541–1547.
Journal Article
Prechtl, M. H. G.; Hölscher, M.; Ben-David, Y.; Theyssen, N.; Milstein, D.; Leitner, W. Ruthenium Dihydrogen Complex for C-H Activation: Catalytic H/D Exchange under Mild Conditions. European Journal of Inorganic Chemistry 2008, 3493–3500.
Journal Article
Ramos da Silva, M.; Schreiber, M.; Sauer, S. P. A.; Thiel, W. Benchmarks for Electronically Excited States: Time-Dependent Density Functional Theory and Density Functional Theory Based Multireference Configuration Interaction. Journal of Chemical Physics 2008, 129, 104103.
Journal Article
Reetz, M. T. Combinatorial Transition-Metal Catalysis: Mixing Monodentate Ligands to Control Enantio-, Diastereo-, and Regioselectivity. Angewandte Chemie-International Edition 2008, 47, 2556–2588.
Journal Article
Reetz, M. T. Kombinatorische Übergangsmetallkatalyse: Mischungen Einzähniger Liganden zur Kontrolle der Enantio-, Diastereo- und Regioselektivität. Angewandte Chemie 2008, 120, 2592–2626.
Journal Article
Reetz, M. T.; Höbenreich, H.; Soni, P.; Fernandez, L. A Genetic Selection System for Evolving Enantioselectivity of Enzymes. Chemical Communications (Cambridge, U. K.) 2008, 5502–5504.
Journal Article
Reetz, M. T.; Kahakeaw, D.; Lohmer, R. Addressing the Numbers Problem in Directed Evolution. ChemBioChem 2008, 9, 1797–1804.
Journal Article
Reetz, M. T.; Rentzsch, M.; Pletsch, A.; Taglieber, A.; Hollmann, F.; Mondiere, R. J. G.; Dickmann, N.; Höcker, B.; Cerrone, S.; Häger, M. C.; Sterner, R. A Robust Protein Host for Anchoring Chelating Ligands and Organocatalysts. ChemBioChem 2008, 9, 552–564.
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