Search for dissertations about: "Sami Amira"

Found 1 swedish dissertation containing the words Sami Amira.

2. 1. Classical and Car-Parrinello Molecular Dynamics Simulations of Polyvalent Metal Ions in Water

   Author : Sami Amira; Kersti Hermansson; Imre Bako; Uppsala universitet; []
   Keywords : NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; Inorganic chemistry; Car-Parrinello molecular dynamics simulations; ab initio calculations; ion; copper; aluminium; metal ion; water; aqueous solution; solvation; Oorganisk kemi; Inorganic chemistry; Oorganisk kemi;

   Abstract : The aqueous solvation of metal ions is one of the long-standing and complex problems in chemistry, with implications for and applications in a broad range of biochemical and electrochemical systems, where water is the all-pervasive medium.This thesis describes computer simulations of Al3+(aq), Fe2+(aq), Fe3+(aq) and Cu2+(aq). READ MORE