Development of a molecular mechanics force field for caffeine to investigate the interactions of caffeine in different solvent media

Rangana, S.Weerasinghe, S.2015-05-192015-05-192010Journal of Molecular Structure :THEOCHEM, 944:p.116-123https://dl.nsf.gov.lk/handle/1/19411ChemistryCaffeineChemical denaturantsAqueous ureaMolecular dynamicsForce fieldsAggregationDevelopment of a molecular mechanics force field for caffeine to investigate the interactions of caffeine in different solvent mediaArticleRG/2007/FR/001FR 1610