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Prof. Kathleen Gough

 

Area of expertise: Vibrational spectroscopy and related computational modelling  

  • Vibrational spectroscopy of small gas phase molecules: force field analysis; intensities; IR and near IR; Raman scattering; intracavity dye-laser photoacoustic spectroscopy.

  • Synchrotron-source infrared spectroscopy of biological tissues: brain; heart; retina; other.

  • Theory of Atoms in Molecules (AIM): analysis of electronic charge density distribution and relationship to vibrational intensities, molecular polarizability and derivatives; molecular dipole and derivatives.

  • Ab initio molecular modelling and computational chemistry: structural and conformational analysis of small molecules; quantitative structure-activity relationships (QSAR); computational vibrational analysis of biomolecules. 

 

 


Last Update: 10/01/2011 02:37 PM by C. Liao