Thursday, October 25, 2007: 2:00 PM-4:20 PM
Redbud A (Greenville Hyatt Regency Hotel)
Analytical, Environmental and Physical Chemistry (9)
Modeling of Covalent Bonding Interactions III
Sponsor: ACS Division of Physical Chemistry
Presider:Steven J. Stuart
Organizers:Steven J. Stuart
D. W. Brenner
2:00 PMHydrogen as the First Halogen: Implications for Bonding Models
Lawrence J. Sacks
2:20 PMBenchmark Ab Initio Computations of Bond-Breaking Potentials
C. David Sherrill
3:00 PMProperties of π-Electrons in Nanographenes
De-en Jiang, Sheng Dai
3:20 PMBreak
3:40 PMThe Effect of Tip Shape and Size on Monolayer Contact Forces
M. Todd Knippenberg, Judith Harrison, Paul T. Mikulski
4:00 PMRe-Parameterization of the AIREBO Potential for An Improved Core Repulsion Term
Thomas A. Embry

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