lecture programme - Deutsche Bunsengesellschaft für Physikalische ...
lecture programme - Deutsche Bunsengesellschaft für Physikalische ...
lecture programme - Deutsche Bunsengesellschaft für Physikalische ...
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LECTURE PROGRAMME BuNseNTAGuNG 2013 · kArlsruhe<br />
Theory meeTs specTroscopy<br />
LECTURE PROGRAMME<br />
Saturday, May 11, 2013<br />
Chair: W. domcke AudiMAx<br />
8:30 Plenary lecTure:<br />
Insights into transition metal catalysis from a combination of spectroscopy<br />
and quantum chemistry<br />
F. Neese, Max Planck Institute for Chemical Energy Conversion, Mülheim an der Ruhr/D<br />
Theory meets Spectroscopy (main topic)<br />
Chair: W. domcke AudiMAx<br />
9:20 Full lecTure<br />
Evolution of Kondo resonance from a single impurity molecule to the two-dimensional<br />
lattice<br />
N. Tsukahara, N. Takagi, M. Kawai, University of Tokyo, Kashiwa/J<br />
10:00 Ab initio assignment of NMR spectra using linear- and sublinear-scaling quantumchemical<br />
methods for molecules with 1000 and more atoms<br />
C. Ochsenfeld, University of Munich/D<br />
10:20 COFFEE BREAK<br />
Theory meets Spectroscopy (main topic)<br />
Chair: M. Schnell AudiMAx<br />
10:40 Full lecTure<br />
Rotational spectroscopy meets theory<br />
C. Puzzarini, University of Bologna/I<br />
11:20 The hydrogen bonding in vitamin C: A puzzle disentangled<br />
I. Peña, A.M. Daly, C. Cabezas, S. Mata, C. Bermúdez, A. Niño, J.C. López, J.L. Alonso,<br />
Universidad de Valladolid/E; J.-U. Grabow, Leibniz-Universität Hannover/D<br />
11:40 Internal rotation and nuclear quadrupole splitting in p-halotoluenes measured with<br />
broadband microwave spectroscopy<br />
V.A. Shubert, D. Schmitz, T. Betz, M. Schnell, Center for Free Electron Science, Hamburg/D<br />
12:00 A joint venture in microwave spectroscopy, quantum chemistry, and X-ray diffraction:<br />
The conformational space of small odorant molecules<br />
H. Mouhib, W. Stahl, C. Merkens, T. Stadtmüller, U. Englert, RWTH Aachen University/D<br />
12:20 LUNCH BREAK<br />
Page Page<br />
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Saturday, May 11, 2013<br />
Chair: J. Gauß AudiMAx<br />
Plenary lecTure:<br />
Interfacial charge transfer dynamics and femtochemistry of molecular adsorbates<br />
M. Wolf, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin/D<br />
22 23<br />
13:30<br />
–<br />
14:15<br />
Theory meets Spectroscopy (main topic)<br />
Chair: J. Gauß AudiMAx<br />
14:20 Full lecTure<br />
Ultrafast soft X-ray photoelectron spectroscopy at liquid water microjets<br />
B. Abel, Leibnitz Institute of Surface Modification (IOM), Leipzig/D<br />
15:00 Structures of magnetic lanthanide clusters from far-IR spectroscopy<br />
J. Bowlan, FU Berlin/D; D.J. Harding, Universität Göttingen/D; J. Jalink, A. Kirilyuk, G. Meijer,<br />
Radboud University Nijmegen/NL; A. Fielicke, TU Berlin/D<br />
15:20 Theoretical speculations on capabilities of two-dimensional electronic photon-echo<br />
spectroscopy to resolve coherent molecular dynamics<br />
D. Egorova, Universität zu Kiel/D<br />
15:40 Femtosecond two-dimensional infrared spectroscopy of aniline: Experiment and<br />
ab initio calculations<br />
D. Ehmer, D. Czurlok, J. Lindner, P. Vöhringer, Universität Bonn/D<br />
16:00<br />
–<br />
17:00<br />
Chair: M. Peuckert AudiMAx<br />
Poster awards and closing ceremony<br />
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