Please use this identifier to cite or link to this item: 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
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