PHYSThursday, 1 September 2005

8:20 AM-12:20 PM Washington DC Convention Center -- 143B, Oral
Structures and Properties of Small Clusters
Theory of Cluster Dynamics and Reactivity
Organizers:Caroline Chick Jarrold
J. V. Ortiz
Presiding:Ana Martinez
8:20 AMFrom cluster to bulk: Size dependent energetics of silica and silica-water interaction
Hai Ping Cheng
9:00 AMApplications of a quantum Drude model for describing (H2O)n- clusters
Kenneth D. Jordan, Thomas Sommerfeld, Feng Wang
9:40 AMAddition of water, methanol and ammonia to Al3O3- clusters: Reaction products, transition states and electron detachment energies
Alfredo Guevara-García Sr., Ana Martínez, J. V. Ortiz
10:20 AMIntermission
10:40 AMElectronic structures, photoelectron spectra, and chemical reactions of metal oxide clusters
Krishnan Raghavachari, Ujjal Das, Bruce L. Yoder, Caroline Chick Jarrold
11:20 AMVariational calculations of small molecular clusters without assuming the Born-Oppenheimer approximation
Ludwik Adamowicz
12:00 PMAEI: Dynamics of the "excess" electron in water cluster anions
John M. Herbert, Martin Head-Gordon

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