Publications of the MPI für Kohlenforschung

Pereira Rodrigues, G.; Ventura, E.; do Monte, S. A.; Barbatti, M. Photochemical Deactivation Process of HCFC-133a (C₂H₂F₃Cl): A Nonadiabatic Dynamics Study. The Journal of Physical Chemistry A 2014, 118, 12041–12049.

Scott, M.; Sud, A.; Boess, E.; Klussmann, M. Reaction Progress Kinetic Analysis of a Copper-Catalyzed Aerobic Oxidative Coupling Reaction with N-Phenyl Tetrahydroisoquinoline. The Journal of Organic Chemistry 2014, 79, 12033–12040.

Wolf, L. M.; Thiel, W. Origin of Inversion Versus Retention in the Oxidative Addition of 3-Chloro-Cyclopentene to Pd(0)L_n. Journal of Organic Chemistry 2014, 79, 12136–12147.

Baldizzone, C.; Mezzavilla, S.; Carvalho, H. W. P.; Meier, J. C.; Schuppert, A. K.; Heggen, M.; Galeano, C.; Grunwaldt, J.-D.; Schüth, F.; Mayrhofer, K. J. J. Confined-Space Alloying of Nanoparticles for the Synthesis of Efficient PtNi Fuel-Cell Catalysts. Angewandte Chemie International Edition 2014, 53, 14250–14254.

Roiban, G.-D.; Ilie, A.; Reetz, M. T. The Chelation-Controlled Mukaiyama Aldol Reaction of Chiral α- and β-Alkoxy Aldehydes. Chemistry Letters 2014, 43 (2014), 2–10.

Heyden, M. Resolving Anisotropic Distributions of Correlated Vibrational Motion in Protein Hydration Water. The Journal of Chemical Physics 2014, 141, 22D509/1-22D509/10.

Acevedo-Rocha, C. G.; Agudo Torres, R.; Reetz, M. T. Directed Evolution of Stereoselective Enzymes Based on Genetic Selection as Opposed to Screening Systems. Journal of Biotechnology 2014, 191, 3–10.

Monaco, M. R.; Prévost, S.; List, B. Catalytic Asymmetric Synthesis of Thiols. Journal of the American Chemical Society 2014, 136, 16982–16985.

Karasulu, B.; Götze, J. P.; Thiel, W. Assessment of Franck–Condon Methods for Computing Vibrationally Broadened UV–Vis Absorption Spectra of Flavin Derivatives: Riboflavin, Roseoflavin, and 5-Thioflavin. Journal of Chemical Theory and Computation 2014, 10, 5549–5566.

Jungbauer, S. H.; Bulfield, D.; Kniep, F.; Lehmann, C. W.; Herdtweck, E.; Huber, S. M. Toward Molecular Recognition: Three-Point Halogen Bonding in the Solid State and in Solution. Journal of the American Chemical Society 2014, 136, 16740–16743.

Ali, M. E.; Nair, N. N.; Retegan, M.; Neese, F.; Staemmler, V.; Marx, D. The Iron–Sulfur Core in Rieske Proteins is not Symmetric. Journal of Biological Inorganic Chemistry 2014, 19, 1287–1293.

Käldström, M.; Meine, N.; Farès, C.; Schüth, F.; Rinaldi, R. Correction: Deciphering ‘Water-Soluble Lignocellulose’ Obtained by Mechanocatalysis: New Insights into the Chemical Processes Leading to Deep Depolymerization. Green Chemistry 2014, 16, 4994–4994.

Pak, L.; Zibrowius, B.; Lumeij, M.-W.; Dronskowski, R.; Ruschewitz, U. Crystal Structures of Homoleptic Propynyloargentates A^I[Ag(C₃H₃)₂] with AI = Ag, Li, Na Solved and Refined from X-Ray Powder Diffraction Data. Zeitschrift für anorganische und allgemeine Chemie 2014, 640, 3127–3134.

Wang, Q.; van Gemmeren, M.; List, B. Asymmetric Disulfonimide-Catalyzed Synthesis of δ-Amino-β-Ketoester Derivatives by Vinylogous Mukaiyama–Mannich Reactions. Angewandte Chemie International Edition 2014, 53, 13592–13595.

Zhang, Z.-G.; Londsdale, R.; Sanchis-Martinez, J.; Reetz, M. T. Extreme Synergistic Mutational Effects in the Directed Evolution of a Baeyer–Villiger Monooxygenase as Catalyst for Asymmetric Sulfoxidation. Journal of the American Chemical Society 2014, 136, 17262–17272.

Tommasini, M.; Milani, A.; Fazzi, D.; Lucotti, A.; Castiglioni, C.; Januszewski, J. A.; Wendinger, D.; Tykwinski, R. R. π-Conjugation and End Group Effects in Long Cumulenes: Raman Spectroscopy and DFT Calculations. The Journal of Physical Chemistry C 2014, 118, 26415–26425.

Luzio, A.; Fazzi, D.; Nübling, F.; Matsidik, R.; Straub, A.; Komber, H.; Guissani, E.; Watkins, S. E.; Barbatti, M.; Thiel, W.; Gann, E.; Thomsen, L.; McNeill, C. R.; Caironi, M.; Sommer, M. Structure–Function Relationships of High-Electron Mobility Naphthalene Diimide Copolymers Prepared Via Direct Arylation. Chemistry of Materials 2014, 26, 6233–6240.

Mielby, J.; Abildstrøm, J. O.; Wang, F.; Kasama, T.; Weidenthaler, C.; Kegnæs, S. Oxidation of Bioethanol Using Zeolite-Encapsulated Gold Nanoparticles. Angewandte Chemie International Edition 2014, 53, 12513–12516.

Costa, P.; Fernandez-Oliva, M.; Sanchez-Garcia, E.; Sander, W. The Highly Reactive Benzhydryl Cation Isolated and Stabilized in Water Ice. Journal of the American Chemical Society 2014, 136, 15625–15630.

Mailhol, D.; Willwacher, J.; Kausch-Busies, N.; Rubitski, E. E.; Sobol, Z.; Schuler, M.; Lam, M.-H.; Musto, S.; Loganzo, F.; Maderna, A.; Fürstner, A. Synthesis, Molecular Editing, and Biological Assessment of the Potent Cytotoxin Leiodermatolide. Journal of the American Chemical Society 2014, 136, 15719–15729.