Supermolecule density functional calculations on the water exchange of aquated Al(III) species in aqueous solution.

نویسندگان

  • Zhaosheng Qian
  • Hui Feng
  • Wenjing Yang
  • Qiang Miao
  • Lina He
  • Shuping Bi
چکیده

Supermolecule density functional calculations suggest the dissociative (D) mechanism for the water exchange of aquated Al(iii) species in aqueous solution and the calculated results agree well with experimental data.

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عنوان ژورنال:
  • Chemical communications

دوره 33  شماره 

صفحات  -

تاریخ انتشار 2008