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Molecular Spectra and Dynamics at Interfaces.
FLORIDA UNIV GAINESVILLE QUANTUM THEORY PROJECT
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The purpose of the project is to develop a theory of molecular spectra and dynamics of species adsorbed at solid interfaces, in order to provide insight into the properties of interfaces starting from their molecular structure. An additional goal is to develop computational tools to do quantitative calculations of spectroscopic and dynamical quantities. The theoretical and computational tools are developed recognizing that advanced light sources such as tunable lasers, and synchrotron radiation and pulsed lasers provide important tools in the study of solid surfaces to excite adsorbed molecules and to dissociate bonds of adsorbates. Photoelectron spectroscopy PBS probes the electronic structure of adsorbed species and also, by comparison to free molecules, provides information on the electronic structure of the solid substrate. Photoinduced desorption PID provides information on the strengths of chemical bonds and of Van der Waals forces at surfaces. jg
APPROVED FOR PUBLIC RELEASE