Stuttgart 2012 –
wissenschaftliches Programm
MO 3: Quantum Chemistry
Montag, 12. März 2012, 14:00–16:00, V38.02
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14:00 |
MO 3.1 |
Hauptvortrag:
Quantum chemical description of photo-induced molecular processes — •Andreas Dreuw
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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
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14:45 |
MO 3.3 |
Relativistic time-dependent density functional theory and excited states calculations for the Zn2 and Cd2 dimers. — •Ossama Kullie
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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
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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
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15:30 |
MO 3.6 |
Theoretical study of Ir(III) based systems for photocatalytic water splitting — •Sergey Bokarev, Olga Bokareva, and Oliver Kühn
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15:45 |
MO 3.7 |
DFT Study of Charged Gold Clusters in Different Environments — •Alexander Held and Michael Walter
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