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LECTURE PROGRAMME BuNseNTAGuNG 2013 · kArlsruhe
Theory meeTs specTroscopy
LECTURE PROGRAMME
Friday, May 10, 2013
Chair: M. Peuckert AudiMAx
8:30 PLENARy LECTURE:
Theoretical spectroscopy from molecular dynamics
D. Marx, Ruhr University Bochum/D
Gaseous State
Chair: M. Olzmann HöRSAAl ii
9:20 Two color enhanced IR spectroscopy of oligonucelar transition metal complexes
M. Gaffga, F. Menges, Y. Nosenko, C. Riehn, G. Niedner-Schatteburg, TU Kaiserslautern/D
9:40 The formation of fragment ions (H + + + , H , CH3 ) from ethane in intense femtosecond
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laser fields – From understanding to control
N. Schirmel, N. Reusch, P. Horsch, K.-M. Weitzel, University of Marburg/D
10:00 Photoionization and photodissociation of halogenated sulfur compounds
B. Kieling, L. Fechner, B. Langer, F. Gerke, R. Flesch, E. Rühl, Freie Universität Berlin/D
10:20 The photodissociation dynamics of the ethyl radical, C H , investigated by velocity
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map imaging
J. Giegerich, M. Steinbauer, K.H. Fischer, I. Fischer, University of Würzburg/D
10:40 COFFEE BREAK
Gaseous State
Chair: J.-u. Grabow HöRSAAl ii
11:00 Molecular dynamics and non-adiabatic effects probed via strong-field ionization of
state- and isomer-selected molecules fixed in space
S. Trippel, T. Mullins, N. Müller, J. Kienitz, K. Dlugolecki, J. Küpper, DESY, Hamburg/D
11:20 Low temperature CO oxidation catalyzed by free palladium clusters: Similarities and
differences to Pd surfaces and supported particles
S.M. Lang, I. Fleischer, T.M. Bernhardt, University of Ulm/D
11:40 One and two colour IRMPD-spectra of cold tetranuclear cobalt cluster complexes with
carbonyl and bis(diphenylphosphino)amino ligands
J.R. Meyer, M. Gaffga, T. Kolling, J. Mohrbach, G. Niedner-Schatteburg, TU Kaiserslautern/D
12:00 On the structure of 55 atom transition metal clusters and their relation to the bulk
D. Schooss, T. Rapps, E. Waldt, R. Ahlrichs, M.M. Kappes, Karlsruher Institut für Technologie/D
12:20 LUNCH BREAK (12:30 – 13:15 Mitgliederversammlung AG Bunsen-Karriereforum)
13:30
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14:15
Chair: M. Quack AudiMAx
Plenary lecTure:
Multidimensional spectroscopy of photophysics and photochemistry
T. Brixner, University of Würzburg/D
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Friday, May 10, 2013
Gaseous State
Chair: A. Fielicke HöRSAAl ii
14:20 A comparative theoretical study of the kinetics and dynamics of the reaction of
H atoms with ground-state and excited O2 P. Szabó, University of Pannonia, Veszprém/H; G. Lendvay, Institute for Materials and
Environmental Chemistry, Budapest/H
14:40 Mass spectrometry in flames: Combustion chemistry of iso-pentanol as nextgeneration
biofuel
A. Lucassen, J. Warkentin, N. Hansen, Sandia National Laboratories, Livermore/USA; S.W. Park,
M. Sarathy, King Abdullah University of Science and Technology, Thuwal/SAR
15:00 Full lecTure
From the elementary chemical step to detailed and reduced mechanisms. Kinetics of
partially oxidized intermediates in combustion and atmospheric chemistry
T. Zeuch, University of Göttingen/D
15:40 COFFEE BREAK
Solid State
Chair: d. Samuelis HöRSAAl ii
16:00 Activation volume tensor for oxygen vacancy migration in strained CeO electrolytes
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J. Hinterberg, T. Zacherle, A.H.H. Ramadan, R.A. De Souza, RWTH Aachen University/D
16:20 Analysis of strain states in ySZ/rare earth oxide multilayers and their effect on
interfacial ionic conductivity and diffusion
J. Keppner, C. Korte, J. Schubert, W. Zander, M. Ziegner, Forschungszentrum Jülich GmbH/D;
D. Hesse, Max Planck Institut für Mikrostrukturphysik, Halle/D
16:40 Comparative analysis of oxygen mobility in (La,Sr)(Co,Fe)O and (Ba,Sr)(Co,Fe)O 3-d 3-d
perovskites based on ab initio modeling
R. Merkle, Max Planck Institute for Solid State Research, Stuttgart/D; Y.A. Mastrikov, Institute for
Solid State Physics, Riga/LV; E.A. Kotomin, Max Planck Institute for Solid State Research,
Stuttgart/D; M.M. Kuklja, University of Maryland/USA; J. Maier, Max Planck Institute for Solid
State Research, Stuttgart/D
17:00 Conductivity of pure and cation doped Ca Al O 12 14 33- d
R. Dolle, H.-D. Wiemhöfer, Universität Münster/D; J.-P. Eufinger, D.-K. Lee, J. Janek, Universität
Gießen/D; H. Krause, S. Ebbinghaus, Universität Halle-Wittenberg, Halle (Saale)/D
17:20 Electrical conductivity of CeO : Size matters
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G. Gregori, M.C. Göbel, M. Shirpour, R. Merkle, J. Maier, Max-Planck-Institut für Festkörperforschung,
Stuttgart/D
17:40 A high-temperature Mössbauer study of iron-doped Ruddlesden-Popper phases
La Ni O n+1 n 3n+1
P. Gaczynski, TU Braunschweig/D; T. Klande, A. Feldhoff, Leibniz Universität Hannover/D;
K.-D. Becker, TU Braunschweig/D
18:00
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POSTER SESSION
22:00
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