| COMP | Thursday, August 23, 2007 | ||
9:00 AM-12:10 PM BCEC -- 160B, Oral | |||
Bold Predictions in Theoretical Chemistry: A Symposium in Honor of One of the Boldest, Bill Goddard, on the Occasion of his 70th Birthday | |||
| Theory | |||
| Organizer: | Emily A. Carter | ||
| Official: | Mark S. Gordon | ||
| 9:00 AM | 433 | New density functionals for making bold predictions Donald G. Truhlar, Yan Zhao | |
| 9:35 AM | 434 | Is the band gap problem truly a problem: Defects in semiconductors Peter A. Schultz | |
| 10:10 AM | 435 | Density functional theory with accurate bond-breaking and band-gaps using generalized valence bond wave functions via the optimized effective potential method Richard P Muller | |
| 10:45 AM | Intermission | ||
| 11:00 AM | 436 | Accurate density functionals addressing the self-interaction error and potential functional formalism Aron J. Cohen, Paula Mori-Sánchez, Tim Heaton-Burgess, Felipe A. Bulat, Weitao Yang | |
| 11:35 AM | 437 | TDDFT studies of resonance Raman processes: Understanding SERS Lasse Jensen, Christine M. Aikens, George C. Schatz | |
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Symposium Grid -- Division of Computers in Chemistry -- Session Listing
The 234th ACS National Meeting, Boston, MA, August 19-23, 2007