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Structure of Langmuir Monolayers of Perfluorinated Fatty Acids: Evidence of a New 2D Smectic C Phase

Molecules (Basel, Switzerland), 2019-10, Vol.24 (19), p.3590

2019

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Breaking the Structure of Liquid Hydrogenated Alcohols Using Perfluorinated tert-Butanol: A Multitechnique Approach (Infrared, Raman, and X‑ray Scattering) Analyzed by DFT and Molecular Dynamics Calculations

The journal of physical chemistry. B, 2022-03, Vol.126 (9), p.1992-2004

2022

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Unravelling the molecular interactions behind the formation of PEG/PPG aqueous two-phase systems

Physical chemistry chemical physics : PCCP, 2024-02, Vol.26 (9), p.738-7317

2024

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Perfluoropolyethers: Development of an All-Atom Force Field for Molecular Simulations and Validation with New Experimental Vapor Pressures and Liquid Densities

The journal of physical chemistry. B, 2017-07, Vol.121 (27), p.6588-6600

2017

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Spontaneous self-assembly and structure of perfluoroalkylalkane surfactant hemimicelles by molecular dynamics simulations

Proceedings of the National Academy of Sciences - PNAS, 2019-07, Vol.116 (30), p.14868-14873

2019

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Using the SAFT-γ-Mie to Generate Coarse-Grained Force Fields Useable in Molecular Dynamics Simulations: Describing the Micellar Phases of Polyalkylglycols in Aqueous Solutions

Industrial & engineering chemistry research, 2023-04, Vol.62 (13), p.5658-5667

2023

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The path towards type V deep eutectic solvents: inductive effects and steric hindrance in the system tert -butanol + perfluoro tert -butanol

Physical chemistry chemical physics : PCCP, 2023-04, Vol.25 (16), p.11227-11236

2023

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Perfluorinated Alcohols at High Pressure: Experimental Liquid Density and Computer Simulations

Journal of chemical and engineering data, 2023-01, Vol.68 (1), p.14-24

2023

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Towards compartmentalized micelles: Mixed perfluorinated and hydrogenated ionic surfactants in aqueous solution

Journal of colloid and interface science, 2024-01, Vol.654, p.906-914

2024

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Vapor pressure and liquid density of fluorinated alcohols: Experimental, simulation and GC-SAFT-VR predictions

Fluid phase equilibria, 2016-10, Vol.425 (C), p.297-304

2016

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Origin of the central pit in hemimicelles of semifluorinated alkanes: How molecular dipoles and substrate deformation can determine supra-molecular morphology

Journal of colloid and interface science, 2024-02, Vol.655, p.576-583

2024

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The Challenges of Using COSMO-RS To Describe Polymer Solution Behavior

Industrial & engineering chemistry research, 2023-12, Vol.62 (48), p.20936-20944

2023

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Fluorinated surfactants in solution: Diffusion coefficients of fluorinated alcohols in water

Fluid phase equilibria, 2016-01, Vol.407, p.322-333

2016

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The path towards type V deep eutectic solvents: inductive effects and steric hindrance in the system -butanol + perfluoro -butanol

Physical chemistry chemical physics : PCCP, 2023-04, Vol.25 (16), p.11227-11236

2023

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Spontaneous Self-assembly and structure of perfluoroalkylalkane surfactants hemimicelles by molecular dynamics simulations

Proceedings of the National Academy of Sciences - PNAS, 2019

2019

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Towards Aqueous – Fluorous – Hydrogenous emulsions: Phase equilibria and liquid structure of (water + 1H,1H-Perfluorobutanol + 1-butanol) ternary mixture

Fluid phase equilibria, 2020-11, Vol.522, p.112737, Article 112737

2020

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Coarse-grain molecular dynamics simulation framework to unravel the interactions of surfactants on silica surfaces for oil recovery

Colloids and surfaces. A, Physicochemical and engineering aspects, 2023-08, Vol.670, p.131583, Article 131583

2023

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Optimized all-atom force field for alkynes within the OPLS-AA framework

Fluid phase equilibria, 2022-03, Vol.554, p.113314, Article 113314

2022

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The structure of liquid perfluoro Tert-Butanol using Infrared, Raman and X-Ray scattering analyzed by quantum DFT calculations and molecular Dynamics

Chemical physics letters, 2021-09, Vol.779, p.138844, Article 138844

2021

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Ionic liquids with hydrogenated and perfluorinated chains: Structural study of the [P6,6,6,14][FnCOO] n = 7, 9, 11. Checking the existence of polar – hydrogenated – perfluorinated triphilic continuity

Journal of molecular liquids, 2022-12, Vol.367, p.120506, Article 120506

2022

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Detailed surface characterization of highly fluorinated liquid alcohols: Experimental surface tensions, molecular simulations and soft-SAFT theory

Journal of molecular liquids, 2020-02, Vol.300, p.112294, Article 112294

2020

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Selenium-Containing Chrysin and Quercetin Derivatives: Attractive Scaffolds for Cancer Therapy

Journal of medicinal chemistry, 2015-05, Vol.58 (10), p.4250-4265

2015

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Life cycle bioenergetics of the gray seal (Halichoerus grypus) in the Baltic Sea: Population response to environmental stress

Environment international, 2020-12, Vol.145, p.106145, Article 106145

2020

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A Novel Carbon Monoxide-Releasing Molecule Fully Protects Mice from Severe Malaria

Antimicrobial Agents and Chemotherapy, 2012-03, Vol.56 (3), p.1281-1290

2012

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Transcriptional activity, chromosomal distribution and expression effects of transposable elements in Coffea genomes

PloS one, 2013-11, Vol.8 (11), p.e78931-e78931

2013

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Structure of Langmuir Monolayers of Perfluorinated Fatty Acids: Evidence of a New 2D Smectic C Phase

Breaking the Structure of Liquid Hydrogenated Alcohols Using Perfluorinated tert-Butanol: A Multitechnique Approach (Infrared, Raman, and X‑ray Scattering) Analyzed by DFT and Molecular Dynamics Calculations

Unravelling the molecular interactions behind the formation of PEG/PPG aqueous two-phase systems

Perfluoropolyethers: Development of an All-Atom Force Field for Molecular Simulations and Validation with New Experimental Vapor Pressures and Liquid Densities

Spontaneous self-assembly and structure of perfluoroalkylalkane surfactant hemimicelles by molecular dynamics simulations

Using the SAFT-γ-Mie to Generate Coarse-Grained Force Fields Useable in Molecular Dynamics Simulations: Describing the Micellar Phases of Polyalkylglycols in Aqueous Solutions

The path towards type V deep eutectic solvents: inductive effects and steric hindrance in the system tert -butanol + perfluoro tert -butanol

Perfluorinated Alcohols at High Pressure: Experimental Liquid Density and Computer Simulations

Towards compartmentalized micelles: Mixed perfluorinated and hydrogenated ionic surfactants in aqueous solution

Vapor pressure and liquid density of fluorinated alcohols: Experimental, simulation and GC-SAFT-VR predictions

Origin of the central pit in hemimicelles of semifluorinated alkanes: How molecular dipoles and substrate deformation can determine supra-molecular morphology

The Challenges of Using COSMO-RS To Describe Polymer Solution Behavior

Fluorinated surfactants in solution: Diffusion coefficients of fluorinated alcohols in water

The path towards type V deep eutectic solvents: inductive effects and steric hindrance in the system -butanol + perfluoro -butanol

Spontaneous Self-assembly and structure of perfluoroalkylalkane surfactants hemimicelles by molecular dynamics simulations

Towards Aqueous – Fluorous – Hydrogenous emulsions: Phase equilibria and liquid structure of (water + 1H,1H-Perfluorobutanol + 1-butanol) ternary mixture

Coarse-grain molecular dynamics simulation framework to unravel the interactions of surfactants on silica surfaces for oil recovery

Optimized all-atom force field for alkynes within the OPLS-AA framework

The structure of liquid perfluoro Tert-Butanol using Infrared, Raman and X-Ray scattering analyzed by quantum DFT calculations and molecular Dynamics

Ionic liquids with hydrogenated and perfluorinated chains: Structural study of the [P6,6,6,14][FnCOO] n = 7, 9, 11. Checking the existence of polar – hydrogenated – perfluorinated triphilic continuity

Detailed surface characterization of highly fluorinated liquid alcohols: Experimental surface tensions, molecular simulations and soft-SAFT theory

Selenium-Containing Chrysin and Quercetin Derivatives: Attractive Scaffolds for Cancer Therapy

Life cycle bioenergetics of the gray seal (Halichoerus grypus) in the Baltic Sea: Population response to environmental stress

A Novel Carbon Monoxide-Releasing Molecule Fully Protects Mice from Severe Malaria

Transcriptional activity, chromosomal distribution and expression effects of transposable elements in Coffea genomes

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