| PHYS | Sunday, April 6, 2008 | ||
8:00 AM-12:05 PM Morial Convention Center -- Rm. 342, Oral | |||
Computational Spectroscopy | |||
| Electronic Spectroscopy | |||
| Sponsored by: | PHYS | ||
| Organizer: | H. B. Schlegel | ||
| Organizer, Presiding: | Krishnan Raghavachari | ||
| 8:00 AM | Introductory Remarks | ||
| 8:05 AM | 1 | Formation of cyclic N3: Theoretical studies on the 157 nm photodissociation of ClN3 Keiji Morokuma, Ioannis Kerkines, Zhi Wang | |
| 8:45 AM | 2 | Simple and accurate electronic structure methods for molecular ground and excited states Martin Head-Gordon | |
| 9:25 AM | 3 | Excited electronic states of nucleic acid assemblies John M. Herbert | |
| 9:45 AM | 4 | TDDFT optical absorption spectra of silver tetrahedra Christine M. Aikens, George C. Schatz | |
| 10:05 AM | Intermission | ||
| 10:25 AM | 5 | Interplay between computational chemistry and spectroscopy: Structure of gas-phase cluster ions James M. Lisy | |
| 11:05 AM | 6 | Solvent-induced shifts using a combined QM-Effective Fragment Potential approach Mark S. Gordon, Pooja Arora, Federico Zahariev, Sarom Sok, Soohaeng Yoo | |
| 11:45 AM | 7 | Experimental and theoretical evaluation of the photophysical properties of benzophenone derivatives Brandi Michelle Baughman, Rachel E. Lipner, Andrew C. Rudawsky, Elana Stennett, Sarah J. Schmidtke | |
Computational Spectroscopy -- Next Session
Symposium Grid -- Division of Physical Chemistry -- Session Listing
The 235th ACS National Meeting, New Orleans, LA, April 6-10, 2008