Program

SUNDAY 27/9

12:00 - 13:30  Registration
13:30 - 14:00  Welcome
14:00 - 15:30  Introduction to Computational Chemistry (Dimitrios Pantazis)
15:30 - 16:00  Coffee Break
16:00 - 18:30  Introduction to ORCA (Frank Wennmohs) & ORCA Practical
18:30 - 21:00  Dinner & Welcome Reception

MONDAY 28/9

09:00 - 10:00  Group Theory (Serena DeBeer)
10:00 - 10:30  Coffee break
10:30 - 12:00  Ligand Field Theory (Serena DeBeer)
12:00 - 13:30  Lunch
13:30 - 15:00  Vibrational Spectroscopy (Maurice van Gastel)
15:00 - 15:30  Coffee break
15:30 - 17:00  Practical: Vibrational Spectroscopy (Maurice van Gastel)
18:00 - 21:00  Dinner & Poster Session

TUESDAY 29/9

09:00 - 10:30  Optical Spectroscopy (Frank Neese)
10:30 - 11:00  Coffee break
11:00 - 12:30  X-ray Spectroscopy (Serena DeBeer)
12:30 - 14:00  Lunch
14:00 - 15:30  Facility Tours in Small Groups: Raman, UV-Vis RFQ/Stopped Flow, X-ray Labs
15:30 - 18:30  Practical: Excited State Spectroscopy (Dimitrios Manganas & Tina Römelt)
18:30 - 21:00  Dinner and Poster Session

WEDNESDAY 30/9

09:00 - 10:30  Spin Hamiltonians (Frank Neese)
10:30 - 11:00  Coffee break
11:00 - 12:30  Magnetochemistry (Thorsten Glaser)
12:30 - 14:00  Lunch
14:00 - 15:00  Mössbauer Spectroscopy (Frank Neese)
15:00 - 15:30  Coffee break
15:30 - 17:00  Practical: Mössbauer Spectroscopy (Haowei Chen)
17:30 - 20:00  Dinner & Open Discussion

THURSDAY 1/10

09:00 - 10:30  EPR Spectroscopy (Alexander Schnegg)
10:30 - 11:00  Coffee break
11:00 - 12:00  MCD Spectroscopy (Frank Neese)
12:00 - 13:30  Lunch
13:30 - 15:00  Practical: EPR simulations (Alexander Schnegg)
15:00 - 15:15  Coffee break
15:15 - 16:45  Practical: EPR calculations (Dimitrios Pantazis)
16:45 - 17:00  Coffee break
17:00 - 18:30  Open Practical (all topics)
18:30 - 20:00  Dinner & Q&A-Session

FRIDAY 2/10

09:00 - 11:30  Facility Tours in Small Groups: SQUID/MCD/Mössbauer, Mössbauer, EPR Labs
11:30 - 13:00  Closing Talk: Connecting the Dots (Frank Neese) & Q&A Session
13:00 - 13:30  Survey