COMPTuesday, August 18, 2009

8:30 AM-11:10 AM Walter E. Washington Convention Center -- 144A, Oral
Quantum Chemistry
Mr. Materials Goes to Washington
Organizer:Adrian E. Roitberg
Presiding:Sai Pakkala
Paper Withdrawn
9:00 AMFirst principles computational study of chemical degradation of polymer materials
Uros T. Novakovski, Steven L. Richardson, Stephen Christensen
9:30 AMMolten n-pyrrole systems: An adaptive tempering Monte Carlo study
Yafei Dai, Estela Blaisten-Barojas
10:00 AMIntermission
10:10 AMRecent developments in ab initio composite methodologies
T. Gavin Williams, Gbenga A. Oyedepo, Brian P. Prascher, Marie Majkut, Nathan DeYonker, Angela K. Wilson
10:40 AMTime evolution of electronic populations from a combined ab initio structure/reduced density matrix description: Excited metal nanoclusters on silicon
Dmitri S. Kilin, David A. Micha

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The 238th ACS National Meeting, Washington, DC, August 16-20, 2009