Article ID Journal Published Year Pages File Type
5388251 Chemical Physics Letters 2008 5 Pages PDF
Abstract
A novel molecular dynamics methodology, which is based on an integrated ab initio/classical potential using localized basis functions and non-periodic boundary conditions, has been applied to study the microsolvation of the Zn(II) ion in aqueous solution.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Microsolvation of the Zn(II) ion in aqueous solution: A hybrid QM/MM MD approach using non-periodic boundary conditions
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