State-to-State Analysis of Molecular Dynamics

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In this project in the Physical Chemistry Program of the Chemistry Division, Professor Kenneth Janda of the University of Pittsburgh will use spectroscopy and high-level calculations to study halogen-noble gas van der Waals molecules and small clusters in order to deduce information about potential energy surfaces. The work is a mixture of structural and dynamical studies which should lead to fundamental information about the dynamical pathways of chemical reactions as well as the physical transition from gaseous to condensed phases. %%% Cluster molecules are intermediate species formed during the process when gaseous molecules condense to form liquids or solids. The study of the structure and properties of clusters is useful in understanding such diverse phenomena as molecular orientation and mobility on catalytic surfaces as well as protein folding. The work supported here examines clusters forming larger and larger entities in order to test the validity of theoretical models such as the use of pair- potentials to describe interactions in condensing matter.