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Dr. Stuart Bogatko, Dr. Emilie Cauët, Dr. Eric Bylaska, Dr. Gregory Schenter, Dr. John Fulton and Prof. John Weare The Aqueous Ca2+ System, in Comparison with Zn2+, Fe3 +, and Al3 +: An Ab Initio Molecular Dynamics Study Chemistry - A European Journal 19

Version of Record online: 11 JAN 2013 | DOI: 10.1002/chem.201202821

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Like a duck to water: An investigation into the solvent structure and dynamics around the Ca2+ cation was validated by comparison with XAFS data. A comparison with ab initio molecular dynamics studies of aqueous Zn2+, Fe3+, and Al3+ was used to discuss general trends in the ability of these solvated cations to form extended structures.

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