The reconciliation of experimental and computational data is an on-going challenge in many fields of scientific enquiry. This is particularly true in chemistry, especially with respect to biologically interesting molecules, given the myriad of problems that now lend themselves to theoretical investigation. This work sampled several areas of this greater landscape using various computational methods, and compared these results to relevant, experimentally derived data.
| Identifer | oai:union.ndltd.org:ADTP/256596 |
| Date | January 2009 |
| Creators | Stewart, Matthew Blair |
| Source Sets | Australiasian Digital Theses Program |
| Detected Language | English |
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