Effects of dispersion interaction on vibrational spectral diffusion in aqueous NaBr solutions: An ab initio molecular dynamics study
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference99 articles.
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1. An ab initio molecular dynamics study of benzene in water at supercritical conditions: Structure, dynamics, and polarity of hydration shell water and the solute;The Journal of Chemical Physics;2019-07-28
2. Ab initio molecular dynamics simulation of supercritical aqueous ionic solutions: Spectral diffusion of water in the vicinity of Br− and I− ions;Journal of Molecular Liquids;2019-04
3. A reactive force field molecular dynamics simulation of the dynamic properties of hydrogen bonding in supercritical water;Journal of Molecular Liquids;2019-02
4. Water under Supercritical Conditions: Hydrogen Bonds, Polarity, and Vibrational Frequency Fluctuations from Ab Initio Simulations with a Dispersion Corrected Density Functional;ACS Omega;2018-03-23
5. Dynamics of vibrational spectral diffusion in water: Effects of dispersion interactions, temperature, density, system size and fictitious orbital mass;Journal of Molecular Liquids;2018-01
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