| COMP | Wednesday, August 22, 2007 | ||
1:30 PM-4:15 PM BCEC -- 162A, Oral | |||
Quantum Chemistry | |||
| Organizer: | Adrian E Roitberg | ||
| Presiding: | Lauren Wickstrom | ||
| 1:30 PM | 408 | Why does the electron density sometimes go down when you add electrons to a molecule? Junia Melin, Paul W. Ayers, J. V. Ortiz | |
| 1:55 PM | 409 | Peptide bond non-planarity affects vibrational spectra of short peptides Nataliya S. Myshakina, Zeeshan Ahmed, Sergey V. Bykov, John K Vries, Sanford A. Asher | |
| 2:20 PM | 410 | Density functional theory study on the protonation of guanine quadruplex James W. Gauld, Haining Liu | |
| 2:45 PM | Intermission | ||
| 3:00 PM | 411 | Multistep cluster chemistry involved in SN2@P reaction systems Marc A. van Bochove, Marcel Swart, F. Matthias Bickelhaupt | |
| 3:25 PM | 412 | Reaction mechanism of direct gas phase synthesis of H2O2 catalyzed by Au3 Bosiljka Njegic, M. S. Gordon | |
| 3:50 PM | 413 | Theoretical study on the hydrolysis mechanism of 1-substituted silatranes in the gas phase Sarom Sok, Mark S. Gordon | |
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The 234th ACS National Meeting, Boston, MA, August 19-23, 2007