A combined approach of electronic structure calculations and spectroscopy for elucidating reaction mechanisms in organic and bioinorganic systems
This thesis describes the use of density functional theory (DFT) to assist the interpretation of advanced spectroscopic techniques such as stopped flow Fourier transform infrared spectroscopy (FTIR), muon spin resonance (�SR), and nuclear inelastic scattering (NIS). These complementary techniques ar...
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University of East Anglia
2012
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| Online Access: | http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.572083 |