Dynamical properties of the water molecules in the hydration shells of Fe(II) and Fe(III) ions: ab initio QM/MM molecular dynamics simulations
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference27 articles.
1. Computer Simulation of Liquids;Allen,1987
2. The Theory of Intermolecular Forces;Stone,1996
3. A QM/MM simulation method applied to the solution of Li+ in liquid ammonia
4. What Is the Solvation Number of Na+ in Ammonia? An Ab Initio QM/MM Molecular Dynamics Study
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