20 - 23 February 2001
Lehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum, D-44780 Bochum, Deutschland, Werner.Kutzelnigg@ruhr-uni-bochum.de
Lectures
| W. Kutzelnigg (Bochum) | General Theory. |
| M. Kaupp (Würzburg) | Calculation and Interpretation of NMR Parameters for Heavy-Element Compounds. |
| B. Engels (Würzburg) | Theoretical Basis of EPR Spectroscopy. |
| V. Staemmler (Bochum) | Magnetic Properties of Mono- and Bi-nuclear Transition Metal Complexes. |
| P. Schmelcher (Heidelberg) | Atoms and molecules in strong magnetic fields: Structure and Dynamics. |
Timetable
Time |
Tuesday, 20 Feb |
Wednesday, 21 Feb |
Thursday, 22 Feb |
Friday, 23 Feb |
9.00 |
Kutzelnigg |
Kutzelnigg |
Staemmler |
Mini-Symposium M1- M3 9:00 - 10:15 |
10.30 |
Coffee break |
|||
11.00 |
Staemmler |
Kaupp |
Kaupp |
Mini-Symposium M4 - M6 10:45 - 12:00 |
12.00 |
Afternoon break |
|
||
17.00 |
Engels 17-18:15 |
Schmelcher |
Schmelcher 17-17:45 |
|
18.00 |
Schmelcher |
Engels |
Nachträge Diskussion |
|
Mini-Symposium
9:00-9:25 |
M1 | U. Sternberg (Jena) 3D Structure Refinements with Chemical Shifts. |
9:25-9:50 |
M2 | A. Dransfeld (Berlin) Ist die Archivierung von ab initio NMR Untersuchungen sinnvoll? |
9:50-10:15 |
M3 | M. Kelterer (Graz) The electron self-exchange in cyclooctatetraene/cyclooctatetraene radical anion: EPR experiments and QM calculations. |
10:15-10:45 |
Coffee break |
|
10:45-11:10 |
M4 | K. Fink (Bochum) Ab initio description of excited states in solids. |
11:10-11:35 |
M5 | D. Andrae (Bielefeld) Comparative study of density functionals in numerical Kohn-Sham calculations for atoms. |
11:35-12:00 |
M6 | G. Katzer (Graz) Beyond Harmonicity: Thermochemistry at High Temperatures. |