Hydration structures of barium ions: Ab initio molecular dynamics simulations using the SCAN meta-GGA density functional and EXAFS spectroscopy studies

Yamaguchi, Akiko ; Kobayashi, Keita ; Takahashi, Yoshio ; Machida, Masahiko ; Okumura, Masahiko

Chemical physics letters, 2021-10, Vol.780, p.138945, Article 138945 [Periódico revisado por pares]

Elsevier B.V

Texto completo disponível