Solvation structure and dynamics of solutes in mixed polar solvents. (original) (raw)
Solvation structure of sodium chloride (Na+–Cl−) ion pair in dimethyl sulfoxide–acetonitrile mixtures
Sonanki Keshri
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Thermodynamics of Na+ Cl− ion – pair association in acetonitrile–dimethyl sulfoxide mixtures
Sonanki Keshri
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Potentials of mean force of sodium chloride ion pair in dimethyl sulfoxide–methanol mixtures
mayank dixit
2013
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Molecular dynamics simulations of sodium chloride solutions in water–dimethyl sulphoxide mixtures: Potentials of mean force and solvation structures
ashok kumar das
The Journal of Chemical Physics, 1999
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Effect of solvent polarity on the potential of mean force between two molecular ions: MD simulation
Maria Hilczer
Chemical Physics Letters, 1998
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Potential of Mean Force between Two Molecular Ions in a Polar Molecular Solvent: A Study by the Three-Dimensional Reference Interaction Site Model
Andriy And
The Journal of Physical Chemistry B
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Molecular Dynamics Simulation of Na+ - Cl- Ion-Pair in Water-Methanol Mixtures in Supercritical and Ambient Conditions
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Molecular theory of ion solvation dynamics in water, acetonitrile and methanol: A unified microscopic description of collective dynamics in dipolar liquids
S. Taraphder
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Solute-solute solvent-induced interaction: molecular dynamics simulation of a mixed model system in water
G. Cottone, Sandro Fornili
Chemical Physics Letters, 1995
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Model Dependence of Solvent Separated Sodium Chloride Ion Pairs in Water-DMSO Mixtures
ashok kumar das
Lecture Notes in Computer Science, 2006
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Ion solvation dynamics in an interaction-site model solvent
Fernando Raineri
Chemical Physics, 1991
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Molecular theory of ion solvation dynamics in water, acetonitrUe and methanol: A unified microscopic description of collective dynamics in dipolar liquids
S. Taraphder
Journal of Chemical Sciences, 1993
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Constrained molecular dynamics and the mean potential for an ion pair in a polar solvent
Giovanni Ciccotti
Chemical Physics, 1989
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Simulation study of ion pairing in concentrated aqueous salt solutions with a polarizable force field
Benoit Roux
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Molecular-dynamics simulation of the effect of ions on a liquid–liquid interface for a partially miscible mixture
mahmoud rahmati
The Journal of Chemical Physics, 2004
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Solvation of Tetraalkylammonium Chlorides in Acetonitrile-Water Mixtures: Mass Spectrometry and Molecular Dynamics Simulations
Giacomo Saielli
Chemphyschem, 2005
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An application of the Miertus-Scrocco-Tomasi solvation model in molecular mechanics and dynamics simulations
Alexandre Varnek
Journal of Computational Chemistry, 1995
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Computer simulation studies of the structure and dynamics of ions and non–polar solutes in water
Jayendran Rasaiah
Philosophical Transactions of the Royal Society of London. Series A: Mathematical, Physical and Engineering Sciences, 2001
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Ion association in low-polarity solvents: comparisons between theory, simulation, and experiment
Chantal Valeriani
Soft Matter, 2010
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Ion Solvation Thermodynamics from Simulation with a Polarizable Force Field
Alan Grossfield
Journal of the American Chemical Society, 2003
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Distribution of hydrophilic, amphiphilic and hydrophobic ions at a liquid/liquid interface: a molecular dynamics investigation
Frederic Berny
Inorganica Chimica Acta, 2000
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Ion Solvation in Liquid Mixtures: Effects of Solvent Reorganization
An-Chang Shi
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Solvation Effects of Ions and Ionic Surfactants in Polar Fluids
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Predicting solvation free energies and thermodynamics in polar solvents and mixtures using a solvation-layer interface condition
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Polar solvation dynamics: A combination of the reference interaction-site model and mode-coupling theories
Fumio Hirata
Pure and Applied Chemistry, 2000
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Free energy of solvation from molecular dynamics simulations for low dielectric solvents
Paulo Gonçalves
Journal of computational …, 2003
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Simulation of Solvation Dynamics in H-Bonding Solvents: Dynamics of SoluteSolvent H-Bonds in MethanolWater Mixtures
Ivana Borin
Molecular Engineering, 1997
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