| PHYS | Wednesday, April 9, 2008 | ||
8:00 AM-12:00 PM Morial Convention Center -- Rm. 342, Oral | |||
Computational Spectroscopy | |||
| Spectroscopy of Materials | |||
| Sponsored by: | PHYS | ||
| Organizers: | Krishnan Raghavachari H. B. Schlegel | ||
| Presiding: | Charles B Musgrave | ||
| 8:00 AM | 229 | Improved chemical contrast in scanning tunneling microscopy: Imaging as a form of local electronic spectroscopy D. J. Doren | |
| 8:40 AM | 230 | Surface infrared spectroscopy Yves J. Chabal, Krishnan Raghavachari | |
| 9:20 AM | 231 | Surface vibrations of adsorbates on Si(111): From small clusters to infinite lattices Glen Allen Ferguson, Krishnan Raghavachari | |
| 9:40 AM | 232 | Computational spectroscopy of excited-state DNA bases Hanneli Hudock, Todd J. Martínez | |
| 10:00 AM | Intermission | ||
| 10:20 AM | 233 | Time-dependent density functional theory as a practical tool in the study of MCD and CD spectra of transition metal complexes. Implementations and applications Mike Seth, Mykhaylo Krykunov, Tom Ziegler | |
| 11:00 AM | 234 | Computational studies of Cα-D and C≡N vibrational probes Steven A. Corcelli | |
| 11:40 AM | 235 | Theory and simulaton of relaxation and photoluminescence in PbSe and CdSe quantum dots Dmitri S. Kilin, Oleg V. Prezhdo, Svetlana V. Kilina | |
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Symposium Grid -- Division of Physical Chemistry -- Session Listing
The 235th ACS National Meeting, New Orleans, LA, April 6-10, 2008