Understanding cyclobutenone rearrangements : an in silico study

The work described in this thesis sheds new light on the mechanistic pathways followed during thermochemically and photochemically induced cyclobutenone rearrangements through an understanding of thermodynamic and kinetic aspects. The investigation applies DFT and ab initio methods to various rearra...

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Bibliographic Details
Main Author: Goncalves, Theo
Other Authors: Harrowven, David
Published: University of Southampton 2014
Subjects:
540
Online Access:https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.640735