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NTIS 바로가기Journal of physical organic chemistry, v.21 no.12, 2008년, pp.1022 - 1028
Lamoureux, G. (Escuela de Quí) , Perez, Alice L. (mica and Centro de Investigaciones en Productos Naturales, Universidad de Costa Rica, 2060 San Pedro, San José) , Araya, Mario (, Costa Rica) , Agüero, Christian (Escuela de Quí)
The structures of two derivatives of 2-hydroxy-1,4-naphthoquinone (lawsone) are examined using the density functional theory (DFT) hybrid functional B3LYP. Using the optimized structure of lawsone acetate, the reactivity of acyl transfer is described. Also, the nucleophilicity of the conjugate base ...
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