| COMP | Tuesday, August 21, 2007 | ||
2:00 PM-5:10 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 | |||
| Heterogeneous Catalysis | |||
| Organizers: | Emily A. Carter Mark S. Gordon | ||
| Presiding: | Marco A C Nascimento | ||
| 2:00 PM | 229 | Selectivity issues in ammoxidation catalysis: MoV(Nb,Ta)(Te,Sb)O System Robert K. Grasselli | |
| 2:35 PM | 230 | Theoretical heterogeneous catalysis, limitations and challenges Rutger A. van Santen | |
| 3:10 PM | 231 | Understanding electrochemical systems from first principles Timo Jacob | |
| 3:45 PM | Intermission | ||
| 4:00 PM | 232 | Rational design of molecular catalysts applied in hydrogen storage, production and hydrogen fuel cell Wei-Qiao Deng | |
| 4:35 PM | 233 | Theoretical approaches to actinide complexes and cerium oxide materials using density functional theory P. Jeffrey Hay, Richard L. Martin, Enrique R. Batista, Jamal Uddin, Gustavo E Scuseria | |
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Symposium Grid -- Division of Computers in Chemistry -- Session Listing
The 234th ACS National Meeting, Boston, MA, August 19-23, 2007