| PHYS | Sunday, April 6, 2008 | ||
1:20 PM-5:20 PM Morial Convention Center -- Rm. 342, Oral | |||
Computational Spectroscopy | |||
| Vibrational Spectroscopy | |||
| Sponsored by: | PHYS | ||
| Organizer: | Krishnan Raghavachari | ||
| Organizer, Presiding: | H. Bernhard Schlegel | ||
| 1:20 PM | 43 | Infrared and computational studies of small carbocations Michael A Duncan | |
| 2:00 PM | 44 | Hydrocarbon cation structures in the gas phase Paul v. R. Schleyer | |
| 2:40 PM | 45 | Going beyond conventional TDDFT and CIS for predicting UV/Vis properties John M. McKelvey, Stefan Grimme | |
| 3:00 PM | 46 | A new approach to nonlinear response time-dependent density functional theory Federico Zahariev, Soohaeng Yoo, Sarom Sok, Mark S. Gordon | |
| 3:20 PM | Intermission | ||
| 3:40 PM | 47 | Coupling of theory and experiment to unravel the vibrational spectra of small biomolecules and clusters K. D. Jordan | |
| 4:20 PM | 48 | Recent advances in the ab initio prediction of vibrational spectra Michael Frisch | |
| 5:00 PM | 49 | Computational vibrational spectroscopy of H2 aggregates: Quantifying the role of three-body interactions Robert J. Hinde | |
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Symposium Grid -- Division of Physical Chemistry -- Session Listing
The 235th ACS National Meeting, New Orleans, LA, April 6-10, 2008