Quantum chemical studies on radical cation clusters and X-ray emission spectroscopy
This thesis presents computational studies of two main projects, the first concerning the structure and bonding of mixed component radical cation clusters and the second relating to quantum chemical calculations of X-ray emission spectroscopy. Basin hopping in conjunction with second order Møller-P...
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| Format: | Thesis (University of Nottingham only) |
| Language: | English |
| Published: |
2014
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| Online Access: | http://eprints.nottingham.ac.uk/27765/ http://eprints.nottingham.ac.uk/27765/1/thesis.pdf |