Publikationen 2011

Braunstein, P.; Reetz, M.T.; Sun, W.-H.;
Editorial. Comptes Rendus Chimie 14, 787-788 (2011)
Breidung, J.; Thiel, W.;
Prediction of Vibrational Spectra from Ab Initio Theory. Handbook of High-Resolution Spectroscopy 1. Wiley, Chichester, UK. (2011)
Busch, M.; Bergmann, U.; Sager, U.; Schmidt, W.; Schmidt, F.; Notthoff, C.; Atakan, B.; Winterer, M.;
Synthesis of active carbon-based catalysts by chemical vapor infiltration for nitrogen oxide conversion. Journal of Nanoscience and Nanotechnology 11, 7956-7961 (2011)
Crespo-Otero, R.; Barbatti, M.;
Cr(CO)(6) photochemistry: Semi-classical study of UV absorption spectral intensities and dynamics of photodissociation. Journal of Chemical Physics 134, (2011)
Crespo-Otero, R.; Barbatti, M.; Yu, H.; Evans, N. L.; Ullrich, S.;
Ultrafast Dynamics of UV-Excited Imidazole. CHEMPHYSCHEM 12, 3365-3375 (2011)
Cui, G.; Fang, W.;
Ab Initio Trajectory Surface-Hopping Study on Ultrafast Deactivation Process of Thiophene. The Journal of Physical Chemistry A 115, 1766-1776 (2011)
Cui, H. L.; Goddard, R.; Porschke, K. R.;
Synthesis and Coordination Chemistry of N,N-Diallylbispidine. ORGANOMETALLICS 30, 6241-6252 (2011)
Daeungern, R.; Kungwan, N.; Woschann, P.; Aquino, A. J. A.; Lischka, H.; Barbatti, M.;
Excited-State Intermolecular Proton Transfer Reactions of 7-Azaindole(MeOH)(n) (n=1-3) Clusters in the Gas phase: On-the-Fly Dynamics Simulation. JOURNAL OF PHYSICAL CHEMISTRY A 115, 14129-14136 (2011)
Doro, F.; Winnertz, P.; Leitner, W.; Prokofieva, A.; Muller, T. E.;
Adapting a Wacker-type catalyst system to the palladium-catalyzed oxidative carbonylation of aliphatic polyols. GREEN CHEMISTRY 13, 292-295 (2011)
Doron, D.; Major, D. T.; Kohen, A.; Thiel, W.; Wu, X.;
Hybrid Quantum and Classical Simulations of the Dihydrofolate Reductase Catalyzed Hydride Transfer Reaction on an Accurate Semi-Empirical Potential Energy Surface. JOURNAL OF CHEMICAL THEORY AND COMPUTATION 7, 3420-3437 (2011)
Engel, P.; Bonhage, B.; Pernik, D.; Rinaldi, R.; Schmidt, P.; Wulfhorst, H.; Spiess, A.C.;
Population balance modelling of homogeneous and heterogeneous cellulose hydrolysis. Aided Chemical Engineering 29, 1316-1320 (2011)
Fabiano, E.; Lan, Z.; Lu, Y.; Thiel, W.;
Nonadiabatic Trajectory Calculations with Ab Initio and Semiempirical Methods. World Scientific Publishing, Singapore. (2011)
Felderhoff, M.; Urbanczyk, R.; Peil, S.;
Wasserstoffspeicherung im Festkörper-Komplexe Aluminiumhydride als Speicher für stationäre Anwendungen. H2-das Magazin für Wasserstoff und Brennstoffzellen 11, 20-21 (2011)
Felderhoff, M.; Zibrowius, B.;
Formation of Al(2)H(7)(-) anions - indirect evidence of volatile AlH(3) on sodium alanate using solid-state NMR spectroscopy. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 13, 17234-17241 (2011)
Feyen, M.; Weidenthaler, C.; Güttel, R.; Schlichte, K.; Holle, U.; Lu, A. H.; Schüth, F.;
High-Temperature Stable, Iron-Based Core-Shell Catalysts for Ammonia Decomposition. CHEMISTRY-A EUROPEAN JOURNAL 17, 598-605 (2011)
Fürstner, A.;
From Total Synthesis to Diverted Total Synthesis: Case Studies in the Amphidinolide Series. Israel Journal of Chemistry 51, 329-345 (2011)
Fürstner, A.;
Metathesis in total synthesis. Chemical Communications 47, 6505-6511 (2011)
Gagnepain, J.; Moulin, E.; Fürstner, A.;
Gram-Scale Synthesis of Iejimalide B. Chemistry-A European Journal 17, 6964-6972 (2011)
Gagnepain, J.; Moulin, E.; Nevado, C.; Waser, M.; Maier, A.; Kelter, G.; Fiebig, H. H.; Fürstner, A.;
Molecular Editing and Assessment of the Cytotoxic Properties of Iejimalide and Progeny. Chemistry-A European Journal 17, 6973-6984 (2011)
Galeano, C.; Güttel, R.; Paul, M.; Arnal, P.; Lu, A. H.; Schüth, F.;
Yolk-Shell Gold Nanoparticles as Model Materials for Support-Effect Studies in Heterogeneous Catalysis: Au, @C and Au, @ZrO(2) for CO Oxidation as an Example. Chemistry-A European Journal 17, 8434-8439 (2011)
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