A theoretical study of uranyl solvation: Explicit modelling of the second hydration sphere by quantum mechanical methods

Chemical Physics

Volumn 326, Issue 2-3, 2006, Pages 289-296

  Siboulet, B ^a   Marsden, C J ^b   Vitorge, P ^c  

^a SCPS   (France)

^b UNIVERSITÉ PAUL SABATIER   (France)

^c CEA SACLAY   (France)

Author keywords

ab initio; DFT; Solvation; Uranyl

Indexed keywords

EID: 33745901967     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2006.02.006     Document Type: Article

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