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Ionic conductivity in aqueous electrolyte solutions: Insights from computer simulations

Journal of molecular liquids, 2019-03, Vol.277, p.506-515

2019

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Influence of a Counterion on the Ion Atmosphere of an Anion: A Molecular Dynamics Study of LiX and CsX (X = F–, Cl–, I–) in Methanol

The journal of physical chemistry. B, 2015-08, Vol.119 (34), p.10921-10933

2015

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Using porphyrin-amino acid pairs to model the electrochemistry of heme proteins: experimental and theoretical investigations

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (15), p.10018-10029

2018

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Relation Between the Diffusivity, Viscosity, and Ionic Radius of LiCl in Water, Methanol, and Ethylene Glycol: A Molecular Dynamics Simulation

The journal of physical chemistry. B, 2013-07, Vol.117 (27), p.8196-8208

2013

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Amorphous 1-propanol interstellar ice beyond its melting point

Monthly notices of the Royal Astronomical Society, 2024-04, Vol.530 (1), p.1027-1034

2024

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Effect of interionic interactions on the structure and dynamics of ionic solvation shells in aqueous electrolyte solutions

RSC advances, 2016-01, Vol.6 (115), p.114666-114675

2016

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Diffusion in Nanoporous Phases: Size Dependence and Levitation Effect

The journal of physical chemistry. B, 2008-01, Vol.112 (3), p.665-686

2008

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Correlation between conductivity or diffusivity and activation energy in amorphous solids

The Journal of chemical physics, 2008-10, Vol.129 (14), p.144103-144103

2008

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Breakdown of the Stokes−Einstein Relationship: Role of Interactions in the Size Dependence of Self-Diffusivity

The journal of physical chemistry. B, 2006-08, Vol.110 (34), p.17207-17211

2006

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Structure and dynamics of cumene and 1,2,4-trimethylbenzene mixture in NaY zeolite: a molecular dynamics simulation study

Molecular simulation, 2015-04, Vol.41 (5-6), p.423-431

2015

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Structural Insights into Proton Conduction in Gallic Acid–Isoniazid Cocrystals

Crystal growth & design, 2014-02, Vol.14 (2), p.423-426

2014

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Transport in nanoporous zeolites: Relationships between sorbate size, entropy, and diffusivity

The Journal of chemical physics, 2012-05, Vol.136 (17), p.174510-174510-8

2012

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Ionic conduction in the solid state

Journal of Chemical Sciences, 2006-01, Vol.118 (1), p.135-154

2006

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Levitation effect in zeolites: Quasielastic neutron scattering and molecular dynamics study of pentane isomers in zeolite NaY

The Journal of chemical physics, 2010-04, Vol.132 (14), p.144507-144507-11

2010

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Ions in water: Role of attractive interactions in size dependent diffusivity maximum

The Journal of chemical physics, 2010-09, Vol.133 (11), p.114504-114504-9

2010

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Evidence in Support of Levitation Effect as the Reason for Size Dependence of Ionic Conductivity in Water: A Molecular Dynamics Simulation

The journal of physical chemistry. B, 2006-06, Vol.110 (24), p.12179-12190

2006

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Dependence of diffusivity on density and solute diameter in liquid phase: A molecular dynamics study of Lennard-Jones system

The Journal of chemical physics, 2012-04, Vol.136 (14), p.144505-144505-11

2012

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Levitation Effect: Role of Symmetry and Dependence of Diffusivity on the Bond Length of Homonuclear and Heteronuclear Diatomic Species

The journal of physical chemistry. B, 2011-04, Vol.115 (13), p.3514-3521

2011

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Existence of a Size-Dependent Diffusivity Maximum for Uncharged Solutes in Water and Its Implications

The journal of physical chemistry. B, 2006-06, Vol.110 (24), p.12072-12079

2006

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Diffusion of Pure CH4 and Its Binary Mixture with CO2 in Faujasite NaY: A Combination of Neutron Scattering Experiments and Molecular Dynamics Simulations

Journal of physical chemistry. C, 2010-03, Vol.114 (11), p.5027-5034

2010

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Correction to “Breakdown of Stokes−Einstein Relationship: Role of Interactions in the Size Dependence of Self-Diffusivity”

The journal of physical chemistry. B, 2007-07, Vol.111 (27), p.7928-7928

2007

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Variation of diffusivity with the cation radii in molten salts of superionic conductors containing iodine anion: A molecular dynamics study

Journal of chemical sciences (Bangalore, India), 2012, Vol.124 (1), p.159-166

2012

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A molecular dynamics study and molecular level explanation of pressure dependence of ionic conductivity of potassium chloride in water

Physical chemistry chemical physics : PCCP, 2011-06, Vol.13 (23), p.10877-10884

2011

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Structure, Conductivity, and Ionic Motion in Na1+xZr2SixP3-xO12: A Simulation Study

The journal of physical chemistry. B, 2002-07, Vol.106 (28), p.7081-7089

2002

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Size-Dependent Maximum in Ion Conductivity: The Levitation Effect Provides an Alternative Explanation

The journal of physical chemistry. B, 2005-04, Vol.109 (16), p.8120-8124

2005

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Ionic conductivity in aqueous electrolyte solutions: Insights from computer simulations

Influence of a Counterion on the Ion Atmosphere of an Anion: A Molecular Dynamics Study of LiX and CsX (X = F–, Cl–, I–) in Methanol

Using porphyrin-amino acid pairs to model the electrochemistry of heme proteins: experimental and theoretical investigations

Relation Between the Diffusivity, Viscosity, and Ionic Radius of LiCl in Water, Methanol, and Ethylene Glycol: A Molecular Dynamics Simulation

Amorphous 1-propanol interstellar ice beyond its melting point

Effect of interionic interactions on the structure and dynamics of ionic solvation shells in aqueous electrolyte solutions

Diffusion in Nanoporous Phases: Size Dependence and Levitation Effect

Correlation between conductivity or diffusivity and activation energy in amorphous solids

Breakdown of the Stokes−Einstein Relationship: Role of Interactions in the Size Dependence of Self-Diffusivity

Structure and dynamics of cumene and 1,2,4-trimethylbenzene mixture in NaY zeolite: a molecular dynamics simulation study

Structural Insights into Proton Conduction in Gallic Acid–Isoniazid Cocrystals

Transport in nanoporous zeolites: Relationships between sorbate size, entropy, and diffusivity

Ionic conduction in the solid state

Levitation effect in zeolites: Quasielastic neutron scattering and molecular dynamics study of pentane isomers in zeolite NaY

Ions in water: Role of attractive interactions in size dependent diffusivity maximum

Evidence in Support of Levitation Effect as the Reason for Size Dependence of Ionic Conductivity in Water: A Molecular Dynamics Simulation

Dependence of diffusivity on density and solute diameter in liquid phase: A molecular dynamics study of Lennard-Jones system

Levitation Effect: Role of Symmetry and Dependence of Diffusivity on the Bond Length of Homonuclear and Heteronuclear Diatomic Species

Existence of a Size-Dependent Diffusivity Maximum for Uncharged Solutes in Water and Its Implications

Diffusion of Pure CH4 and Its Binary Mixture with CO2 in Faujasite NaY: A Combination of Neutron Scattering Experiments and Molecular Dynamics Simulations

Correction to “Breakdown of Stokes−Einstein Relationship: Role of Interactions in the Size Dependence of Self-Diffusivity”

Variation of diffusivity with the cation radii in molten salts of superionic conductors containing iodine anion: A molecular dynamics study

A molecular dynamics study and molecular level explanation of pressure dependence of ionic conductivity of potassium chloride in water

Structure, Conductivity, and Ionic Motion in Na1+xZr2SixP3-xO12: A Simulation Study

Size-Dependent Maximum in Ion Conductivity: The Levitation Effect Provides an Alternative Explanation

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