| PHYS | Sunday, 10 September 2006 | ||
8:00 AM-12:00 PM Grand Hyatt San Francisco -- Butron, Oral | |||
Frontiers in Molecular Biophysical Dynamics: Experiment and Theory | |||
| Biophysical Dynamics | |||
| Organizer: | Laurie J. Butler | ||
| Organizer, Presiding: | Joel M. Bowman | ||
| 8:00 AM | 30 | Molecular dynamics based approaches to vibrational spectroscopy: Application to carbon-deuterium (C–D) labeled bonds in amino acids Carrie S Kinnaman, Matthew E Cremeens, Floyd E Romesberg, Steven A Corcelli | |
| 8:20 AM | 31 | Using isotope-edited vibrational spectroscopy to probe molecular dynamics Christopher M. Cheatum, Kenan Gundogdu, Michael W. Nydegger, Jigar N. Bandaria, Sarah E. Hill | |
| 8:40 AM | 32 | Stimulated vibrational echo experiments and MD simulations reveal the nature of ultrafast protein fluctuations in confinement Ilya J. Finkelstein, Aaron M. Massari, Michael D. Fayer | |
| 9:00 AM | 33 | Two- and three-state conical intersections involved in the photophysical properties of pyrimidine bases Spiridoula Matsika, Kurt Kistler | |
| 9:20 AM | 34 | Quantum wavepacket ab initio dynamics: Theory and application Srinivasan S. Iyengar | |
| 9:40 AM | 35 | Ab initio excited state dynamics of a model anionic chromophore of photoactive yellow protein Chaehyuk Ko, Todd J. Martínez | |
| 10:00 AM | Intermission | ||
| 10:20 AM | 36 | A non-bonded description of metalloprotein sites in molecular dynamics simulations Matteo Dal Peraro, Katrin Spiegel, Guillaume Lamoureux, Marco De Vivo, William F DeGrado, Michael L. Klein | |
| 10:40 AM | 37 | Alanine: Then there was water Jonathan M. Mullin, M. S. Gordon | |
| 11:00 AM | 38 | Near linear-scaling smooth local coupled cluster theory for electronic structure and potential use in quantum dynamics Joseph E. Subotnik, Martin Head-Gordon | |
| 11:20 AM | 39 | UV photodissociation of heteroaromatic molecules studied using H atom photofragment translational spectroscopy Adam L Devine, Mike G D Nix, Bríd Cronin, Richard N. Dixon, Michael N R Ashfold | |
| 11:40 AM | 40 | Anion photoelectron spectroscopy of deprotonated pyrimidine nucleobases Bradley F Parsons, Nadine Wehres, Sean M. Sheehan, Rainer Weinkauf, Daniel M. Neumark | |
Symposium Grid -- Division of Physical Chemistry -- Session Listing
The 232nd ACS National Meeting, San Francisco, CA, September 10-14, 2006