Theoretical modelling of hydrogen transfer reactions
The first part of this thesis deals with some general aspects of hydrogen transfer reactions. Based on the idea of similarity between localized orbitals of functional groups in different molecules, an attempt is made to reflect this transferability in segments of the correlation energy bel...
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Cardiff University
2010
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| Online Access: | http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.584770 |