Saturday, October 21, 2006: 8:00 AM-12:00 PM
Salon F ( Houston Westchase Marriott Hotel)
Modeling Chemical Dynamics in the Quantum Regime 2 (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:	Robert E. Wyatt
Organizer:	Peter Rossky
8:00 AM	654		Molecular electronic excited state dynamics in the condensed phase Peter Rossky
8:40 AM	655		Quantum simulation of thermal rate constants for complex reactions Haobin Wang
9:20 AM			Break
9:50 AM	656		Electron Transfer in Mixed-valence Systems: Effects of Strong Vibronic Coupling Deborah G. Evans
10:30 AM	657		Exctonic and charge transfer dynamics in DNA Eric R. Bittner
11:10 AM	658		Coverage-dependent adsorption and reactivity of molecular oxygen on rutile TiO2(110) Gyeong S. Hwang

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