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Contribution of Different Molecules and Moieties to the Surface Tension in Aqueous Surfactant Solutions

Journal of physical chemistry. C, 2019-07, Vol.123 (27), p.16660-16670

2019

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Contribution of Different Molecules and Moieties to the Surface Tension in Aqueous Surfactant Solutions. II: Role of the Size and Charge Sign of the Counterions

The journal of physical chemistry. B, 2021-08, Vol.125 (31), p.9005-9018

2021

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Pytim: A python package for the interfacial analysis of molecular simulations

Journal of computational chemistry, 2018-09, Vol.39 (25), p.2118-2125

2018

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Phase and interface determination in computer simulations of liquid mixtures with high partial miscibility

Physical chemistry chemical physics : PCCP, 2017, Vol.19 (29), p.18968-18974

2017

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Single-Particle Dynamics at the Intrinsic Surface of Aqueous Alkali Halide Solutions

The journal of physical chemistry. B, 2021-01, Vol.125 (2), p.665-679

2021

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Adsorption of Aromatic Hydrocarbon Molecules at the Surface of Ice, As Seen by Grand Canonical Monte Carlo Simulation

Journal of physical chemistry. C, 2013-04, Vol.117 (13), p.6719-6729

2013

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Insight into Liquid Polymorphism from the Complex Phase Behavior of a Simple Model

Physical review letters, 2021-07, Vol.127 (1), p.1-015701, Article 015701

2021

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Properties of the liquid-vapor interface of acetone-methanol mixtures, as seen from computer simulation and ITIM surface analysis

Physical chemistry chemical physics : PCCP, 2015-01, Vol.17 (14), p.8913-8926

2015

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Effect of general anesthetics on the properties of lipid membranes of various compositions

Biochimica et biophysica acta. Biomembranes, 2019-03, Vol.1861 (3), p.594-609

2019

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Computer Simulation Insights into the Chemical Origins of Life: Can HCN Enrichment on Interstellar Amorphous Ice Be a Starting Point?

ACS earth and space chemistry, 2024-03, Vol.8 (3), p.520-532

2024

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A systematic molecular simulation study of ionic liquid surfaces using intrinsic analysis methods

Physical chemistry chemical physics : PCCP, 2012-04, Vol.14 (15), p.5200-5213

2012

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Contribution of the two liquid phases to the interfacial tension at various water-organic liquid-liquid interfaces

Journal of molecular liquids, 2020-05, Vol.306, p.112872, Article 112872

2020

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Intrinsic Structure of the Interface of Partially Miscible Fluids: An Application to Ionic Liquids

Journal of physical chemistry. C, 2015-12, Vol.119 (51), p.28448-28461

2015

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Effect of xenon, an apolar general anaesthetic on the properties of the DPPC bilayer

Journal of molecular liquids, 2023-09, Vol.386, p.122405, Article 122405

2023

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new method for determining the interfacial molecules and characterizing the surface roughness in computer simulations. Application to the liquid-vapor interface of water

Journal of computational chemistry, 2008-04, Vol.29 (6), p.945-956

2008

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A Critical Assessment of Methods for the Intrinsic Analysis of Liquid Interfaces: 2. Density Profiles

Journal of physical chemistry. C, 2010-11, Vol.114 (43), p.18656-18663

2010

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Role of the Counterions in the Surface Tension of Aqueous Surfactant Solutions. A Computer Simulation Study of Alkali Dodecyl Sulfate Systems

Colloids and interfaces, 2020-06, Vol.4 (2), p.15

2020

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Molecular Level Properties of the Water−Dichloromethane Liquid/Liquid Interface, as Seen from Molecular Dynamics Simulation and Identification of Truly Interfacial Molecules Analysis

Journal of physical chemistry. C, 2009-11, Vol.113 (44), p.19263-19276

2009

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Surface Chemistry and Atomic-Scale Reconstruction of Kerogen–Silica Composites

Journal of physical chemistry. C, 2014-02, Vol.118 (5), p.2429-2438

2014

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What does an ionic liquid surface really look like? Unprecedented details from molecular simulations

Physical chemistry chemical physics : PCCP, 2011-12, Vol.13 (48), p.21230-21232

2011

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Does the Sign of Charge Affect the Surface Affinity of Simple Ions?

The journal of physical chemistry. B, 2023-07, Vol.127 (27), p.6205-6216

2023

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Understanding the Molecular Mechanism of Anesthesia: Effect of General Anesthetics and Structurally Similar Non-Anesthetics on the Properties of Lipid Membranes

The journal of physical chemistry. B, 2023-07, Vol.127 (27), p.6078-6090

2023

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Capturing material toughness by molecular simulation: accounting for large yielding effects and limits

International journal of fracture, 2015-08, Vol.194 (2), p.149-167

2015

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Surface Affinity of Tetramethylammonium Iodide in Aqueous Solutions: A Combined Experimental and Computer Simulation Study

The journal of physical chemistry. B, 2023-06, Vol.127 (23), p.5341-5352

2023

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Surface Affinity of Alkali and Halide Ions in Their Aqueous Solution: Insight from Intrinsic Density Analysis

The journal of physical chemistry. B, 2020-11, Vol.124 (44), p.9884-9897

2020

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Contribution of Different Molecules and Moieties to the Surface Tension in Aqueous Surfactant Solutions

Contribution of Different Molecules and Moieties to the Surface Tension in Aqueous Surfactant Solutions. II: Role of the Size and Charge Sign of the Counterions

Pytim: A python package for the interfacial analysis of molecular simulations

Phase and interface determination in computer simulations of liquid mixtures with high partial miscibility

Single-Particle Dynamics at the Intrinsic Surface of Aqueous Alkali Halide Solutions

Adsorption of Aromatic Hydrocarbon Molecules at the Surface of Ice, As Seen by Grand Canonical Monte Carlo Simulation

Insight into Liquid Polymorphism from the Complex Phase Behavior of a Simple Model

Properties of the liquid-vapor interface of acetone-methanol mixtures, as seen from computer simulation and ITIM surface analysis

Effect of general anesthetics on the properties of lipid membranes of various compositions

Computer Simulation Insights into the Chemical Origins of Life: Can HCN Enrichment on Interstellar Amorphous Ice Be a Starting Point?

A systematic molecular simulation study of ionic liquid surfaces using intrinsic analysis methods

Contribution of the two liquid phases to the interfacial tension at various water-organic liquid-liquid interfaces

Intrinsic Structure of the Interface of Partially Miscible Fluids: An Application to Ionic Liquids

Effect of xenon, an apolar general anaesthetic on the properties of the DPPC bilayer

new method for determining the interfacial molecules and characterizing the surface roughness in computer simulations. Application to the liquid-vapor interface of water

A Critical Assessment of Methods for the Intrinsic Analysis of Liquid Interfaces: 2. Density Profiles

Role of the Counterions in the Surface Tension of Aqueous Surfactant Solutions. A Computer Simulation Study of Alkali Dodecyl Sulfate Systems

Molecular Level Properties of the Water−Dichloromethane Liquid/Liquid Interface, as Seen from Molecular Dynamics Simulation and Identification of Truly Interfacial Molecules Analysis

Surface Chemistry and Atomic-Scale Reconstruction of Kerogen–Silica Composites

What does an ionic liquid surface really look like? Unprecedented details from molecular simulations

Does the Sign of Charge Affect the Surface Affinity of Simple Ions?

Understanding the Molecular Mechanism of Anesthesia: Effect of General Anesthetics and Structurally Similar Non-Anesthetics on the Properties of Lipid Membranes

Capturing material toughness by molecular simulation: accounting for large yielding effects and limits

Surface Affinity of Tetramethylammonium Iodide in Aqueous Solutions: A Combined Experimental and Computer Simulation Study

Surface Affinity of Alkali and Halide Ions in Their Aqueous Solution: Insight from Intrinsic Density Analysis

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