Understanding Chemical Reactions In Novel Materials: From Metal Organic Frameworks to Oxyallyl Cations
The work of this dissertation investigates the chemical processes of novel materials through quantum mechanical calculations and molecular dynamics simulations. The first section of this work focuses on probing copper based metal organic frameworks (MOFs) for their ability to catalytically release...
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| Format: | Others |
| Language: | en |
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LSU
2016
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| Online Access: | http://etd.lsu.edu/docs/available/etd-11042016-175708/ |