Preferential solvation and ion association properties in aqueous dimethyl sulfoxide solutions

Water-Mediated Ion Pairing: Occurrence and Relevance

(2016) Nico F. A. van der Vegt et al.   CHEMICAL REVIEWS

Atomistic insights into deep eutectic electrolytes: the influence of urea on the electrolyte salt LiTFSI in view of electrochemical applications

(2016) Volker Lesch et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Concentration dependent effects of urea binding to poly(N-isopropylacrylamide) brushes: a combined experimental and numerical study

(2016) Samantha Micciulla et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Properties of Apolar Solutes in Alkyl Imidazolium-Based Ionic Liquids: The Importance of Local Interactions

(2015) Volker Lesch et al.   CHEMPHYSCHEM

On the nature of the molecular ordering of water in aqueous DMSO mixtures

(2015) Aurélien Perera et al.   JOURNAL OF CHEMICAL PHYSICS

Coarse-grained simulations of polyelectrolyte complexes: MARTINI models for poly(styrene sulfonate) and poly(diallyldimethylammonium)

(2015) Martin Vögele et al.   JOURNAL OF CHEMICAL PHYSICS

Proton Dissociation of Sulfonated Polysulfones: Influence of Molecular Structure and Conformation

(2015) Andreas Wohlfarth et al.   MACROMOLECULES

Solvent effects of 1-ethyl-3-methylimidazolium acetate: solvation and dynamic behavior of polar and apolar solutes

(2015) Volker Lesch et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Importance of Varying Permittivity on the Conductivity of Polyelectrolyte Solutions

(2015) Florian Fahrenberger et al.   PHYSICAL REVIEW LETTERS

Communication: Kinetic and pairing contributions in the dielectric spectra of electrolyte solutions

(2014) M. Sega et al.   JOURNAL OF CHEMICAL PHYSICS

Dielectric and Terahertz Spectroscopy of Polarizable and Nonpolarizable Water Models: A Comparative Study

(2014) M. Sega et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Polarizable Model for DMSO and DMSO–Water Mixtures

(2014) Stephan J. Bachmann et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Direct Osmolyte–Macromolecule Interactions Confer Entropic Stability to Folded States

(2014) Francisco Rodríguez-Ropero et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Beyond Hofmeister

(2014) Pavel Jungwirth et al.   Nature Chemistry

The solvation and ion condensation properties for sulfonated polyelectrolytes in different solvents—a computational study

(2014) J Smiatek et al.   NEW JOURNAL OF PHYSICS

GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit

(2013) Sander Pronk et al.   BIOINFORMATICS

Ion Conducting Membranes for Fuel Cells and other Electrochemical Devices

(2013) Klaus-Dieter Kreuer   CHEMISTRY OF MATERIALS

Hydration and Proton Transfer in Highly Sulfonated Poly(phenylene sulfone) Ionomers: An Ab Initio Study

(2013) Chen Wang et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Reversal of the Hofmeister Series: Specific Ion Effects on Peptides

(2013) Jana Paterová et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Osmolyte Effects: Impact on the Aqueous Solution around Charged and Neutral Spheres

(2013) Jens Smiatek   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular dynamics simulation of aggregation in dimethyl sulfoxide–water binary mixture

(2013) Ning Zhang et al.   Computational and Theoretical Chemistry

Proton Conducting Phase-Separated Multiblock Copolymers with Sulfonated Poly(phenylene sulfone) Blocks for Electrochemical Applications: Preparation, Morphology, Hydration Behavior, and Transport

(2012) Giorgi Titvinidze et al.   ADVANCED FUNCTIONAL MATERIALS

Hofmeister Phenomena: An Update on Ion Specificity in Biology

(2012) Pierandrea Lo Nostro et al.   CHEMICAL REVIEWS

Enthalpy–Entropy of Cation Association with the Acetate Anion in Water

(2012) Timir Hajari et al.   Journal of Chemical Theory and Computation

Ion-specific counterion condensation on charged peptides: Poisson–Boltzmann vs. atomistic simulations

(2012) Jan Heyda et al.   Soft Matter

Single Alkaline-Ion (Li+, Na+) Conductors by Ion Exchange of Proton-Conducting Ionomers and Polyelectrolytes

(2011) Klaus-Dieter Kreuer et al.   CHEMPHYSCHEM

Force Field Benchmark of Organic Liquids: Density, Enthalpy of Vaporization, Heat Capacities, Surface Tension, Isothermal Compressibility, Volumetric Expansion Coefficient, and Dielectric Constant

(2011) Carl Caleman et al.   Journal of Chemical Theory and Computation

Application of molecular dynamics simulations in molecular property prediction II: Diffusion coefficient

(2011) Junmei Wang et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Ion Pairing in Aqueous Electrolyte Solutions with Biologically Relevant Anions

(2011) Pritam Ganguly et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Hofmeister Ion Interactions with Model Amide Compounds

(2011) Elena A. Algaer et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Anomalous Behavior of Linear Hydrocarbon Chains in Water–DMSO Binary Mixture at Low DMSO Concentration

(2011) Rikhia Ghosh et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Poly(styrenesulfonate)−Poly(diallyldimethylammonium) Mixtures: Toward the Understanding of Polyelectrolyte Complexes and Multilayers via Atomistic Simulations

(2010) Baofu Qiao et al.   MACROMOLECULES

Effect of Ions on the Structure of Water: Structure Making and Breaking

(2009) Yizhak Marcus   CHEMICAL REVIEWS

On the dielectric conductivity of molecular ionic liquids

(2009) Christian Schröder et al.   JOURNAL OF CHEMICAL PHYSICS

Dielectric Relaxation in Dimethyl Sulfoxide/Water Mixtures Studied by Microwave Dielectric Relaxation Spectroscopy

(2009) Zijie Lu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Highly Sulfonated Poly(phenylene sulfone): Preparation and Stability Issues

(2009) Michael Schuster et al.   MACROMOLECULES

Cation specific binding with protein surface charges

(2009) B. Hess et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Hofmeister series and specific interactions of charged headgroups with aqueous ions

(2008) Nina Vlachy et al.   ADVANCES IN COLLOID AND INTERFACE SCIENCE

A comparative study of two classical force fields on statics and dynamics of [EMIM][BF4] investigated via molecular dynamics simulations

(2008) Florian Dommert et al.   JOURNAL OF CHEMICAL PHYSICS

Specific Ion Binding to Macromolecules:  Effects of Hydrophobicity and Ion Pairing

(2008) Mikael Lund et al.   LANGMUIR

Understanding Ionic Liquids at the Molecular Level: Facts, Problems, and Controversies

(2007) Hermann Weingärtner   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION