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Ab initio calculation of the potential of mean force for dissociation of aqueous Ca-Cl.
Timko, Jeff; De Castro, Alexandra; Kuyucak, Serdar.
Affiliation
  • Timko J; School of Physics, University of Sydney, NSW 2006, Australia.
J Chem Phys ; 134(20): 204510, 2011 May 28.
Article in En | MEDLINE | ID: mdl-21639459
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Full text: 1 Database: MEDLINE Main subject: Quantum Theory / Chlorides / Calcium / Molecular Dynamics Simulation Language: En Journal: J Chem Phys Year: 2011 Type: Article Affiliation country: Australia
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Full text: 1 Database: MEDLINE Main subject: Quantum Theory / Chlorides / Calcium / Molecular Dynamics Simulation Language: En Journal: J Chem Phys Year: 2011 Type: Article Affiliation country: Australia