- Abstract:
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This thesis presents electronic structure calculations on problems related to the bonding in inorganic coordination compounds and clusters. A wide range of molecules with the ability to exist in different structural forms or electronic states has been selected and density functional theory is systematically applied in order to gain detailed insight into their characteristics and reactivity at the electronic level. First, we address the question of redox non-innocent behaviour of bipyridine in...
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- Publication date:
- 2011
- Type of award:
- DPhil
- Level of award:
- Doctoral
- Awarding institution:
- Oxford University, UK
- URN:
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uuid:1f4a1330-281d-4696-b3e6-62b76fb41d65
- Local pid:
- ora:6186
- Language:
- English
- Keywords:
- Subjects:
- Copyright holder:
- Tobias Krämer
- Copyright date:
- 2011
- Notes:
- Cleared copyright has been acknowledged according to publisher´s regulations (given wording) at the appropiate positions inside the thesis, using tags.
Thesis
Electronic structure of open-shell transition metal complexes
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