Publications 2011

Alachraf, M. W.; Handayani, P. P.; Hüttl, M. R. M.; Grondal, C.; Enders, D.; Schrader, W.;
Electrospray mass spectrometry for detailed mechanistic studies of a complex organocatalyzed triple cascade reaction. Organic & Biomolecular Chemistry 9, 1047-1053 (2011)
Alcarazo, M.;
On the metallic nature of carbon in allenes and heterocumulenes. DALTON TRANSACTIONS 40 (9), 1839-1845 (2011)
Alcarazo, M.; Radkowski, K.; Goddard, R.; Furstner, A.;
Metal complexes with carbene ligands stabilized by lateral enamines. CHEMICAL COMMUNICATIONS 47, 776-778 (2011)
Asahina, S.; Uno, S.; Suga, M.; Stevens, S. M.; Klingstedt, M.; Okano, Y.; Kudo, M.; Schuth, F.; Anderson, M. W.; Adschiri, T.; Terasaki, O.;
A new HRSEM approach to observe fine structures of novel nanostructured materials. Microporous and Mesoporous Materials 146, 11-17 (2011)
Barbatti, M.;
Nonadiabatic dynamics with trajectory surface hopping method. WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE 1, 620-633 (2011)
Barbatti, M.;
The role of tautomers in the UV absorption of urocanic acid. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 13, 4686-4692 (2011)
Barbatti, M.; Aquino, A. J. A.; Szymczak, J. J.; Nachtigallova, D.; Lischka, H.;
Photodynamical simulations of cytosine: characterization of the ultrafast bi-exponential UV deactivation. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 13, 6145-6155 (2011)
Barbatti, M.; Shepard, R.; Lischka, H.;
Computational and methodological elements for nonadiabatic trajectory dynamics simulations of molecules. Conical Intersections: Theory, Computation and Experiment. World Scientific Publishing, Singapore. (2011)
Barbatti, M.; Szymczak, J. J.; Aquino, A. J. A.; Nachtigallova, D.; Lischka, H.;
The decay mechanism of photoexcited guanine - A nonadiabatic dynamics study. JOURNAL OF CHEMICAL PHYSICS 134, (2011)
Barbatti, M.; Ullrich, S.;
Ionization potentials of adenine along the internal conversion pathways. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 13, 15492-15500 (2011)
Beckmann, U.; Eichberger, E.; Rufinska, A.; Sablong, R.; Kläui, W.;
Nickel(II) catalysed co-polymerisation of CO and ethene: Formation of polyketone vs. polyethylene - The role of co-catalysts. JOURNAL OF CATALYSIS 283, 143-148 (2011)
Benighaus, T.;
Boundary Potentials for Hybrid Quantum Mechanical/Molecular Mechanical Simulations of Solvated Biomolecules. Heinrich Heine Universität, Düsseldorf.
Benighaus, T.; Thiel, W.;
Long-Range Electrostatic Effects in QM/MM Studies of Enzymatic Reactions: Application of the Solvated Macromolecule Boundary Potential. JOURNAL OF CHEMICAL THEORY AND COMPUTATION 7, 238-249 (2011)
Benitez, M. J.; Mishra, D.; Szary, P.; Confalonieri, G. A. B.; Feyen, M.; Lu, A. H.; Agudo, L.; Eggeler, G.; Petracic, O.; Zabel, H.;
Structural and magnetic characterization of self-assembled iron oxide nanoparticle arrays. JOURNAL OF PHYSICS-CONDENSED MATTER 23, 1-12 (2011)
Benitez, M. J.; Petracic, O.; Tüysüz, H.; Schüth, F.; Zabel, H.;
Fingerprinting the magnetic behavior of antiferromagnetic nanostructures using remanent magnetization curves. PHYSICAL REVIEW B 83, (2011)
Benson, S.;
Totalsynthese von Spirastrellolide. Technische Universität Dortmund, Dortmund.
Benson, S.; Collin, M. P.; Arlt, A.; Gabor, B.; Goddard, R.; Fürstner, A.;
Second-Generation Total Synthesis of Spirastrellolide F Methyl Ester: The Alkyne Route. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 50, 8739-8744 (2011)
Benson, S.; Collin, M. P.; Arlt, A.; Gabor, B.; Goddard, R.; Fürstner, A.;
Second-Generation Total Synthesis of Spirastrellolide F Methyl Ester: The Alkyne Route. Angewandte Chemie 123, 8898-8903 (2011)
Boess, E.; Sureshkumar, D.; Sud, A.; Wirtz, C.; Farès, C.; Klussmann, M.;
Mechanistic Studies on a Cu-Catalyzed Aerobic Oxidative Coupling Reaction with N-Phenyl Tetrahydroisoquinoline: Structure of Intermediates and the Role of Methanol As a Solvent. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 133, 8106-8109 (2011)
Böß, E.; Hillringhaus, T.; Nitsch, J.; Klussmann, M.;
Lewis acid-catalysed one pot synthesis of substituted xanthenes. ORGANIC & BIOMOLECULAR CHEMISTRY 9, 1744-1748 (2011)
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