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http://archive.cmb.ac.lk:8080/xmlui/handle/70130/563| Title: | Investigation of Stability of Caffeine Dimer in Water Clusters: A quantum mechanical study |
| Authors: | Pallewela, G.N. Weerasinghe, S. Dissanayake, D. |
| Issue Date: | 2011 |
| Publisher: | University of Colombo |
| Citation: | Annual Research Proceedings, University of Colombo held on June 2011 |
| Abstract: | The most stable conformation of caffeine dimer in gas phase has flat-dimer structure while the most probable (abundance) conformation is anti-parallel. A electronic structure calculation was preformed to investigate the most stable dimer conformation in water medium. It was found that when the number of water molecules increases the anti-parallel structure shows a greater stability and the process was found to be enthalpically driven |
| URI: | http://archive.cmb.ac.lk:8080/xmlui/handle/70130/563 |
| Appears in Collections: | Science |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| sample proceedingsfinal (dragged) 1.pdf | 361.82 kB | Adobe PDF | View/Open |
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