Modelling the vibrational spectroscopy of carbon nanomaterials
An empirical force-field based on the Murrell-Mottram potential is devel- oped to model the vibrational spectroscopy of carbon nanomaterials. The resultant potential accurately simulates the structure and vibrational fre- quencies of carbon nanomaterials. When combined with the Empirical Bond Polari...
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| Format: | Thesis (University of Nottingham only) |
| Language: | English |
| Published: |
2019
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| Online Access: | https://eprints.nottingham.ac.uk/55703/ |