Friday, October 20, 2006: 1:30 PM-4:55 PM
Salon F ( Houston Westchase Marriott Hotel)
Modeling Chemical Dynamics in the Quantum Regime 1 (Invited)
Many chemical equilibria and transformations are influenced in an important way by quantum effects. These include such phenomena as electron and proton transfer and electronic excited state relaxation. This symposium will explore the rapidly advancing techniques for computational modeling of chemical systems at an atomistic level with inclusion of quantum effects, along with their application to problems of interest in the chemical sciences.
Presider:	Peter Rossky
Organizer:	Peter Rossky
1:30 PM	242		Quantum dynamics and photochemistry of negative ions via photoelectron imaging and photofragment spectroscopy Andrei Sanov
2:05 PM	243		Direct Dynamics Simulations of Atomic-Level Gas-Phase Organic Reaction Mechanisms. Post-Transition State Dynamics William L. Hase, Upakarasamy Louderaj, Kihyung Song, Jose Lopez, Grigoriy Vayner
2:40 PM	244		Path integral Monte Carlo studies of atoms and molecules Randall W. Hall
3:15 PM			Break
3:45 PM	245		Nonergodic chemical kinetics in condensed phase Dmitry V. Matyushov
4:20 PM	246		Tunneling with Trajectories Robert E. Wyatt

Back to The 62nd Southwest Regional Meeting (October 19-22 2006)