Electronic structure of transition metal ions and clusters
This thesis uses density functional theory (DFT) to explore the electronic structure and reaction mechanisms of open-shell transition metal ions and clusters. The early part of the thesis (Chapters 2 and 3) is devoted to high-valent metal-oxo species, both mono- and bimetallic, while Chapter 4 descr...
| Main Author: | |
|---|---|
| Published: |
University of Glasgow
2008
|
| Subjects: | |
| Online Access: | http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.513125 |