PHYSSunday, 10 September 2006

1:20 PM-5:20 PM Grand Hyatt San Francisco -- San Francisco B/C, Oral
Frontiers in Molecular Dynamics: Experiment and Theory
From Gaseous to Condensed Phase Dynamics
Organizers:Laurie J. Butler
Joel M. Bowman
Presiding:Munira Khalil
1:20 PMMolecular dynamics and vibrational spectroscopy in water and aqueous solutions
James L. Skinner
2:00 PMAb initio molecular dynamics in simple orthonormal localized real-space basis functions: Applications to aqueous systems
Mark E. Tuckerman, Hee-Seung Lee
2:40 PMBond-dissociation in the condensed phase: Mixed quantum/classical molecular dynamics simulations
William J. Glover, Benjamin J. Schwartz
3:00 PMExperimental observations of hydrogen bond dynamics in liquid water
Joseph J. Loparo, Sean T Roberts, Andrei Tokmakoff
3:20 PMIntermission
3:40 PMSpectroscopy and dynamics of excess electrons in clusters
Daniel M. Neumark
4:20 PMWatching H-atom migration and charge delocalization in clusters
Mark A. Johnson
5:00 PMMolecular studies of the effect of mass on the dynamics of gas/organic-surface collisions
Diego Troya, William A Alexander, B. Scott Day, John R. Morris

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The 232nd ACS National Meeting, San Francisco, CA, September 10-14, 2006