PHYSSunday, March 25, 2007

1:20 PM-5:15 PM McCormick Place South -- Room S406A, Level 4, Oral
Capturing Complexity in Physical Sciences Simulation
Chemical Kinetics and Dynamics
Organizers:Chris Wolverton
Krishnan Raghavachari
Organizer, Presiding:William F. Schneider
1:20 PMIntroductory Remarks
1:25 PMSimulations of interfacial structures and dynamics
William L. Hase, Oleg A. Mazyar, Lenore L. Dai
2:05 PMAutomatically and correctly capturing complexity in chemical kinetic simulations
William H Green Jr.
2:45 PMFormation of perfluorocarboxylic acids, CxF2x+1C(O)OH, during the atmospheric oxidation of fluorotelomer alcohols (n-CxF2x+1CH2CH2OH)
T. J. Wallington, M. D. Hurley, J. Xia, D. J. Wuebbles, S. Sillman, A Ito, J. E. Penner, D. A. Ellis, J. Martin, S. A. Mabury, O. J. Nielsen, M. P. Sulbaek Andersen
3:05 PMIntermission
3:15 PMThe multiscale challenge in the formation of carbonaceous nanoparticles
Angela Violi
3:55 PMNew electronic structure methods for large reactive radicals and diradicals
Martin Head-Gordon
4:35 PMMechanism of PH3-induced surface chemistry on InP compound semiconductor surfaces
Ujjal Das, Krishnan Raghavachari

Capturing Complexity in Physical Sciences Simulation -- Next Session

Symposium Grid -- Division of Physical Chemistry -- Session Listing

The 233rd ACS National Meeting, Chicago, IL, March 25-29, 2007