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Showing 1 to 1 of 1 for “"DFT- und ab-initio-Rechnungen"”.
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The ground and excited state molecular structure of model systems undergoing photochemical processes and the characterization of active agents by means of vibrational spectroscopy and theoretical calculations
The present thesis reports about vibrational and quantum chemical investigations on model systems undergoing photochemical processes and pharmaceutically active compounds, respectively. Infrared (IR) and Raman spectroscopy were applied for the characterization of the ground state molecular …