Computational chemistry of organometallic and inorganic species

This thesis presents computational investigations of problems related to redox processes and structural rearrangement in inorganic systems. Density functional theory has been used to gain insight into the origin and nature of such reactions. The work presented concerns two main topics: hydrogenase-l...

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Bibliographic Details
Main Author: Davin, Thomas J.
Published: University of Glasgow 2009
Subjects:
Online Access:http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.501502