A Theoretical Approach to Molecular Design: Planar-Tetracoordinate Carbon
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Description
A number of novel hydrocarbon cage systems have been designed and characterized using ab initio molecular orbital calculations at the MP2 and B3-LYP levels. In particular,equilibrium structures for five families of molecules, hemialkaplanes, hemispiroalkaplanes, alkaplanes, spiroalkaplanes and dimethanospiroalkaplanes, have been examined in detail with the aim of designing a saturated hydrocarbon with a planar-tetracoordinate carbon atom and with a view to identifying appropriate synthetic...[Show more]
Collections | Open Access Theses |
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Date published: | 2000 |
Type: | Thesis (PhD) |
URI: | http://hdl.handle.net/1885/48020 |
DOI: | 10.25911/5d7a2b669ef17 |
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File | Description | Size | Format | Image |
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04Chapter2.pdf | 1.45 MB | Adobe PDF | ||
07Chapter4b.pdf | 3.17 MB | Adobe PDF | ||
01front.pdf | 4.7 MB | Adobe PDF | ||
02whole.pdf | 13.98 MB | Adobe PDF | ||
03Chapter1.pdf | 1.76 MB | Adobe PDF | ||
05Chapter3.pdf | 4.26 MB | Adobe PDF | ||
06Chapter4a.pdf | 4.51 MB | Adobe PDF | ||
08Appendices.pdf | 1.88 MB | Adobe PDF |
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