COMP 337 |
| The interactions between beta-cyclodextrin and derivatives from Ferrocene and Adamantanol have been studied with ab initio and molecular dynamics method in both gas and water solvent phase. A semi-empirical method has been proposed to carry out the excitation state computations attempting to reveal the mechanism behind the process of fluorescence quenching and recovering by adding Ferrocene derivatives followed by Adamantanol derivatives into the water solution of beta-cyclodextrin anchored quantum dots. |
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Poster Session
6:00 PM-8:00 PM, Tuesday, August 21, 2007 BCEC -- Ballroom Foyer, Poster
Sci-Mix
Division of Computers in Chemistry |