Density functional theory based molecular-dynamics study of aqueous iodide solvation.

Heuft, J M; Meijer, E J

Heuft, J M; Meijer, E J.

Affiliation

Heuft JM; Van't Hoff Institute for Molecular Sciences, Universiteit van Amsterdam, Nieuwe Achtergracht 166, NL-1018 WV Amsterdam, The Netherlands. heuft@science.uva.nl

J Chem Phys ; 123(9): 94506, 2005 Sep 01.

Article in En | MEDLINE | ID: mdl-16164352

Subject(s)

Chemistry, Physical/methods; Hydrogen/chemistry; Iodides/chemistry; Water/chemistry; Chlorides/chemistry; Computer Simulation; Electrons; Fluorides/chemistry; Hydrogen Bonding; Ions; Models, Chemical; Molecular Conformation; Software; Solvents/chemistry; Thermodynamics

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Collection: 01-internacional Database: MEDLINE Main subject: Water / Chemistry, Physical / Hydrogen / Iodides Language: En Journal: J Chem Phys Year: 2005 Document type: Article Affiliation country: Netherlands Country of publication: United States

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