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Excursions on high-dimensional potential energy surfaces

Wednesday, May 4, 2011

CCU Lecture Series

 

Joel Bowman

Profesor of Chemistry

Emory University

E-mail: jmbowma@emory.edu

 

Abstract

 

I will describe recent progress in developing ab initio potential energy surfaces for complex chemical reactions and molecular complexes. Examples of dynamics on such potentials will be presented for ³roaming² reactions and the IR spectrum of H5+, large water clusters and hydrated ions and the "line-list" version of MULTIMODE.