MD and MC simulations of hydrated manganous ion including three-body effects
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference42 articles.
1. Classical and Mixed Quantum Mechanical/Molecular Mechanical Simulation of Hydrated Manganous Ion
2. Structure and dynamics of hydrated ions
3. The structure of electrolyte solutions
4. Hexaaqua dipositive ions of the first transition series: new and accurate structures; expected and unexpected trends
5. Solvation of Cu2+ in Liquid Ammonia: Monte Carlo Simulation Including Three-Body Corrections
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1. Simulation of Ca2+ and Mg2+ Solvation Using Polarizable Atomic Multipole Potential;The Journal of Physical Chemistry B;2006-08-31
2. Quantum mechanical/molecular mechanical molecular dynamic simulation of zinc(II) ion in water;Journal of Molecular Liquids;2005-05
3. Many-body potentials for aqueous Li+, Na+, Mg2+, and Al3+: Comparison of effective three-body potentials and polarizable models;The Journal of Chemical Physics;2004-03-08
4. Effective three-body potentials for Li+(aq) and Mg2+(aq);The Journal of Chemical Physics;2003-10-08
5. Modelling of Octahedral Manganese II Complexes with Inorganic Ligands: A Problem with Spin-States;International Journal of Molecular Sciences;2003-08-30
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