Structure and dynamics of the [Zn(NH3)(H2O)5]2+ complex in aqueous solution obtained by an ab initio QM/MM molecular dynamics study†
Abstract
A model complex of the hexahydrated zinc(II)
* Corresponding authors
a
Theoretical Chemistry Division, Institute of General, Inorganic and Theoretical Chemistry, University of Innsbruck, Innrain 52a, Innsbruck, Austria
E-mail:
Bernd.M.Rode@uibk.ac.at
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A model complex of the hexahydrated zinc(II)
M. Qaiser Fatmi, T. S. Hofer, B. R. Randolf and B. M. Rode, Phys. Chem. Chem. Phys., 2006, 8, 1675 DOI: 10.1039/B518223A
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