PHYSWednesday, 31 August 2005

8:20 AM-12:20 PM Washington DC Convention Center -- 143B, Oral
Structures and Properties of Small Clusters
Electronic Structure Theory of Soft Clusters
Organizers:Caroline Chick Jarrold
J. V. Ortiz
Presiding:Estela Blaisten-Barojas
8:20 AMSmall clusters involving unusual electronic structures
Jack Simons
9:00 AMProton transfer driven by excess charge in small hydrogen-bonded clusters
Maciej Gutowski, Rafal Bachorz, Maciej Haranczyk, Iwona Dabkowska, Janusz Rak
9:40 AMHydrogen bonds and non-bonded interactions in density functional theory
Dennis R. Salahub
10:20 AMIntermission
10:40 AMVan der Waals interactions in aromatic clusters: Investigation with quantum chemical methods
Carlos A. Gonzalez, Thomas C. Allison, Ines Gonzalez, Edward C. Lim
11:20 AMπ-π Interactions: The critical role of repulsive energies
P. Tarakeshwar
11:40 AMProperties of small mixed argon-xenon Lennard-Jones clusters
Ronald P. White, Sean M. Cleary, H. R. Mayne
12:00 PMInvestigating water cluster anions with one-electron models that include polarization and dispersion
Thomas Sommerfeld, Kenneth D. Jordan, Feng Wang

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The 230th ACS National Meeting, in Washington, DC, Aug 28-Sept 1, 2005