PHYSSunday, 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 AMMolecular 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 AMUsing isotope-edited vibrational spectroscopy to probe molecular dynamics
Christopher M. Cheatum, Kenan Gundogdu, Michael W. Nydegger, Jigar N. Bandaria, Sarah E. Hill
8:40 AMStimulated 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 AMTwo- and three-state conical intersections involved in the photophysical properties of pyrimidine bases
Spiridoula Matsika, Kurt Kistler
9:20 AMQuantum wavepacket ab initio dynamics: Theory and application
Srinivasan S. Iyengar
9:40 AMAb initio excited state dynamics of a model anionic chromophore of photoactive yellow protein
Chaehyuk Ko, Todd J. Martínez
10:00 AMIntermission
10:20 AMA 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 AMAlanine: Then there was water
Jonathan M. Mullin, M. S. Gordon
11:00 AMNear linear-scaling smooth local coupled cluster theory for electronic structure and potential use in quantum dynamics
Joseph E. Subotnik, Martin Head-Gordon
11:20 AMUV 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 AMAnion 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