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Density functional study of CO and NO adsorption on Ni-doped MgO 100
Valero, Rosendo; Gomes, José R. B.; Truhlar, Donald G.; Illas, FrancescThe adsorption of small molecules such as NO or CO on surfaces of magnetic oxides containing transition metals is difficult to model by current density functional approximations. Two such oxides are NiO͑100͒ and Ni-doped MgO͑100͒. Here we compare the results of a theoretical model of the Ni-doped MgO͑100͒ surface with experimental results on NiO͑100͒, which introduces some uncertainty into a quantitative theory...
Steroselective synthesis of imidazolidin-4-ones from α-amino amides of the anti...
Ferraz, Ricardo; Gomes, José R. B.; Passo, Joana; Oliveira, Eliandre; Moreira, Rui; Gomes, PaulaImidazolidin-4-ones are commonly employed as skeletal modifications in bioactive oligopeptides, either as proline surrogates or for protection of the N-terminal amino acid against aminopeptidase-catalysed hydrolysis . We have been working on the synthesis of imidazolidin-4-ones of the antimalarial primaquine , through acylation of primaquine with an α-amino acid and subsequent reaction of the resulting α-aminoa...
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