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Stuttgart 2012 – wissenschaftliches Programm

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MO: Fachverband Molekülphysik

MO 3: Quantum Chemistry

Montag, 12. März 2012, 14:00–16:00, V38.02

14:00 MO 3.1 Hauptvortrag: Quantum chemical description of photo-induced molecular processes — •Andreas Dreuw
14:30 MO 3.2 Static and Frequency Dependent Dipole Polarizabilities from the Ground-State Electron Density — •Vivekanand Gobre, Robert DiStasio Jr., Matthias Scheffler, and Alexandre Tkatchenko
14:45 MO 3.3 Relativistic time-dependent density functional theory and excited states calculations for the Zn2 and Cd2 dimers. — •Ossama Kullie
15:00 MO 3.4 Auger spectrum of a water molecule after single and double core ionization — •Ludger Inhester, Carl F. Burmeister, Gerrit Groenhof, and Helmut Grubmüller
15:15 MO 3.5 Theoretical investigation of the X-ray adsorption spectra (XAS) of charged chromium-gold clusters using DFT. — •Rolf Würdemann, Klaus Zimmermann, and Michael Walter
15:30 MO 3.6 Theoretical study of Ir(III) based systems for photocatalytic water splitting — •Sergey Bokarev, Olga Bokareva, and Oliver Kühn
15:45 MO 3.7 DFT Study of Charged Gold Clusters in Different Environments — •Alexander Held and Michael Walter
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