Computational Study on Polarisation Behaviour of Functionalised Endohedral Metallofullerenes
This work focused on investigating the potential for selected functionalised endohedral metallofullerene isomers to be viable candidates for a molecular polarisation switch, with a particular focus on the Ca@C60 system. This work combines classical electrostatic analysis and Density Functional Theor...
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| Format: | Thesis (University of Nottingham only) |
| Language: | English |
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2023
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| Online Access: | https://eprints.nottingham.ac.uk/74167/ |