Development of a force field with condensed phase consistent charges for N,N' - dialkylimidazolium room temperature ionic liquids
Most force field models for Room temperature ionic liquids cannot properly elucidate statics and dynamics. It is in this context that we set to assess the most efficient way to model RTILs while maintaining the integrity of the liquids statics and dynamics. The development approach begins with the i...
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| Format: | Dissertation |
| Language: | Eng |
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University of Cape Town
2016
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| Online Access: | http://hdl.handle.net/11427/20001 |