Investigation of Stability of Caffeine Dimer in Water Clusters: A quantum mechanical study

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dc.contributor.authorPallewela, G.N.
dc.contributor.authorWeerasinghe, S.
dc.contributor.authorDissanayake, D.
dc.date.accessioned2011-11-30T05:21:54Z
dc.date.available2011-11-30T05:21:54Z
dc.date.issued2011
dc.description.abstractThe 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
dc.identifier.citationAnnual Research Proceedings, University of Colombo held on June 2011en_US
dc.identifier.urihttp://archive.cmb.ac.lk/handle/70130/563
dc.language.isoenen_US
dc.publisherUniversity of Colomboen_US
dc.titleInvestigation of Stability of Caffeine Dimer in Water Clusters: A quantum mechanical studyen_US
dc.typeResearch paperen_US

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