Ab initiomolecular dynamics simulation of LiBr association in water
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.1311965
Reference44 articles.
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2. Molecular Dynamics Simulation of Ion Mobility. 2. Alkali Metal and Halide Ions Using the SPC/E Model for Water at 25 °C
3. Solvent Structure, Dynamics, and Ion Mobility in Aqueous Solutions at 25 °C
4. Sodium chloride ion pair interaction in water: computer simulation
5. Alkali halides in water: Ion–solvent correlations and ion–ion potentials of mean force at infinite dilution
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1. Aqueous solutions: state of the art in ab initio molecular dynamics;Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences;2014-03-13
2. Ab Initio Molecular Dynamics Study of a Highly Concentrated LiCl Aqueous Solution;Journal of Chemical Theory and Computation;2008-05-30
3. First-Principles Molecular Dynamics Evaluation of Thermal Effects on the NMR1JLi,C Spin–Spin Coupling;Chemistry - A European Journal;2007-04-16
4. Ab Initio Molecular Dynamics Studies of Ionic Dissolution and Precipitation of Sodium Chloride and Silver Chloride in Water Clusters, NaCl(H2O)n and AgCl(H2O)n,n = 6, 10, and 14;Chemistry - A European Journal;2006-08-16
5. Hydration of Li+-ion in atom-bond electronegativity equalization method–7P water: A molecular dynamics simulation study;The Journal of Chemical Physics;2005-02-22
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