Browsing by Subject "Electronic structure"

Now showing items 1-3 of 3

    • Does the Like Dissolves Like Rule Hold for Fullerene and Ionic Liquids? 

      Chaban, Vitaly V.; Maciel, Cleiton; Fileti, Eudes Eterno [UNIFESP] (Springer, 2014-06-01)
      Over 150 solvents have been probed to dissolve light fullerenes, but with a quite moderate success. We uncover unusual mutual polarizability of C-60 fullerene and selected room-temperature ionic liquids, which can be applied ...

    • Estudo computacional sobre complexos metálicos de NiII, PdII e PtII com ligantes aciltioureias 

      Oliveira, Ana Carolina dos Santos de [UNIFESP] (Universidade Federal de São Paulo, 2021-07-08)
      As propriedades eletrônicas e estruturais dos complexos de fórmula geral [MLn(dppe)]BF4, em que M = NiII, PdII ou PtII, Ln= N, N’-dimetil-N-benzoil-tioureia ou N, N’-dimetil-N-tiofenil-tioureia e dppe = 1,2-bis(difenilfo ...

    • Ionization of cucurbiturils as a pathway to more stable host-guest complexes 

      Chaban, Vitaly V. [UNIFESP]; Fileti, Eudes Eterno [UNIFESP]; Malaspina, Thaciana [UNIFESP] (Elsevier Science Bv, 2016)
      Cucurbiturils are particularly interesting to chemists, because these macrocyclic molecules are suitable hosts for many neutral and cationic species. Allegedly, the host-guest binding originates from hydrophobic effects ...