MO 3: Theory: Quantum Chemistry and Molecular Dynamics
Montag, 8. März 2010, 16:30–18:45, F 102
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16:30 |
MO 3.1 |
Hauptvortrag:
Mechanisms of Triplet Generation and Depletion in Organic Molecules — •Christel M. Marian
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17:00 |
MO 3.2 |
Relativistic srDFT-MP2 for the dimers of group 18 of the periodic system. — •Ossama Kullie and Trond Saue
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17:15 |
MO 3.3 |
Untersuchung des Konformerenraums des flexiblen Neurotransmitters Melatonin — •Miriam Wollenhaupt und Michael Schmitt
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17:30 |
MO 3.4 |
Semiclassical dynamics of open quantum systems — Christoph-Marian Goletz, Werner Koch, and •Frank Grossmann
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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
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18:00 |
MO 3.6 |
Calculation of the structure of H3− negative ion, and of its formation rate in the interstellar medium — Mehdi Ayouz, •Viatcheslav Kokoouline, Romain Guérout, Maurice Raoult, Jacques Robert, Roland Wester, and Olivier Dulieu
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18:15 |
MO 3.7 |
Quantum-induced symmetry breaking explains infrared spectra of CH5+ isotopologues — •Sergei Ivanov, Alexander Witt, and Dominik Marx
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18:30 |
MO 3.8 |
On-The-Fly Computation of the Vibronic Spectrum of Formaldehyde — •Jörg Tatchen and Eli Pollak
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