Hannover 2010 – wissenschaftliches Programm

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MO: Fachverband Molekülphysik

MO 3: Theory: Quantum Chemistry and Molecular Dynamics

Montag, 8. März 2010, 16:30–18:45, F 102

16:30 MO 3.1 Hauptvortrag: Mechanisms of Triplet Generation and Depletion in Organic Molecules — •Christel M. Marian
17:00 MO 3.2 Relativistic srDFT-MP2 for the dimers of group 18 of the periodic system. — •Ossama Kullie and Trond Saue
17:15 MO 3.3 Untersuchung des Konformerenraums des flexiblen Neurotransmitters Melatonin — •Miriam Wollenhaupt und Michael Schmitt
17:30 MO 3.4 Semiclassical dynamics of open quantum systemsChristoph-Marian Goletz, Werner Koch, and •Frank Grossmann
17:45 MO 3.5 Vibronic transitions and quantum dynamics in molecular oligomers: a theoretical analysis with an application to aggregates of perylene bisimides — •Volker Engel, Joachim Seibt, Theresa Winkler, Klaus Renziehausen, Volker Dehm, Frank Würthner, and Hans-Dieter Meyer
18:00 MO 3.6 Calculation of the structure of H3 negative ion, and of its formation rate in the interstellar mediumMehdi Ayouz, •Viatcheslav Kokoouline, Romain Guérout, Maurice Raoult, Jacques Robert, Roland Wester, and Olivier Dulieu
18:15 MO 3.7 Quantum-induced symmetry breaking explains infrared spectra of CH5+ isotopologues — •Sergei Ivanov, Alexander Witt, and Dominik Marx
18:30 MO 3.8 On-The-Fly Computation of the Vibronic Spectrum of Formaldehyde — •Jörg Tatchen and Eli Pollak
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