Ab initio studies of strained ring molecules
The work reported in this thesis concerns the acid catalysed rearrangement of epoxides in the presence and absence of intramolecular nucleophiles. The potential energy surface (MP2/6-31G*//MP2/6-31G* and B3LYP/6-31G*) for rearrangement of protonated propene oxide to protonated propanal has been esta...
| Main Author: | |
|---|---|
| Language: | en |
| Published: |
University of Canterbury. Department of Chemistry
2013
|
| Online Access: | http://hdl.handle.net/10092/8323 |