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Complexes of Nile Red and - or -cyclodextrin: A semiempirical-density functional theory-molecular dynamics route
Hojvat, Ruth; Barbiric, Dora A.; Castro, Eduardo A. (Universidad de Belgrano - Facultad de Ciencias Exactas y Naturales - Proyectos de Investigación, 2012)The association of Nile Red (NR) with -, and -cyclodextrins (CDs) was analyzed by semiempirical parametric method 3 (PM3), density functional theory-Becke, three-parameter, Lee-Yang-Parr hybrid functional (DFT-B3LYP/6-31G), ...