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

Ionic Liquids at Electrified Interfaces

(2014) Maxim V. Fedorov et al.   CHEMICAL REVIEWS

Probing the interplay between electrostatic and dispersion interactions in the solvation of nonpolar nonaromatic solute molecules in ionic liquids: An OKE spectroscopic study of CS2/[CnC1im][NTf2] mixtures (n = 1–4)

(2014) Lianjie Xue et al.   JOURNAL OF CHEMICAL PHYSICS

Slow solvation in ionic liquids: Connections to non-Gaussian moves and multi-point correlations

(2014) Tamisra Pal et al.   JOURNAL OF CHEMICAL PHYSICS

A Combined Theoretical and Experimental Study of the Influence of Different Anion Ratios on Lithium Ion Dynamics in Ionic Liquids

(2014) Volker Lesch et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Diffusion and Solvation of Radical Ions in an Ionic Liquid Studied by the MFE Probe

(2014) Tomoaki Yago et al.   Journal of Physical Chemistry C

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

Structure and Dynamics of Uranyl(VI) and Plutonyl(VI) Cations in Ionic Liquid/Water Mixtures via Molecular Dynamics Simulations

(2013) Katie A. Maerzke et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Solute Diffusion in Ionic Liquids, NMR Measurements and Comparisons to Conventional Solvents

(2013) Anne Kaintz 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

Protic ionic liquids: Fuel cell applications

(2013) Tomohiro Yasuda et al.   MRS BULLETIN

Ionic liquids for energy applications

(2013) Aleksandar Matic et al.   MRS BULLETIN

Poly(ionic liquid)s: An update

(2013) Jiayin Yuan et al.   PROGRESS IN POLYMER SCIENCE

Force Fields for Studying the Structure and Dynamics of Ionic Liquids: A Critical Review of Recent Developments

(2012) Florian Dommert et al.   CHEMPHYSCHEM

Simulations of Solvation and Solvation Dynamics in an Idealized Ionic Liquid Model

(2012) Durba Roy et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Li+ Solvation and Transport Properties in Ionic Liquid/Lithium Salt Mixtures: A Molecular Dynamics Simulation Study

(2012) Zhe Li et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular Dynamics Simulation Study of the Interfacial Structure and Differential Capacitance of Alkylimidazolium Bis(trifluoromethanesulfonyl)imide [Cnmim][TFSI] Ionic Liquids at Graphite Electrodes

(2012) Jenel Vatamanu et al.   Journal of Physical Chemistry C

New Coarse-Grained Models of Imidazolium Ionic Liquids for Bulk and Interfacial Molecular Simulations

(2012) Céline Merlet et al.   Journal of Physical Chemistry C

On the molecular origin of supercapacitance in nanoporous carbon electrodes

(2012) Céline Merlet et al.   NATURE MATERIALS

Prevention of insulin self-aggregation by a protic ionic liquid

(2012) Awanish Kumar et al.   RSC Advances

Imidazolium Ionic Liquid Interfaces with Vapor and Graphite: Interfacial Tension and Capacitance from Coarse-Grained Molecular Simulations

(2011) Céline Merlet et al.   Journal of Physical Chemistry C

Solvation studies of a zinc finger protein in hydrated ionic liquids

(2011) Michael Haberler et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Ionic-Liquid-Supported (ILS) Catalysts for Asymmetric Organic Synthesis

(2010) Bukuo Ni et al.   CHEMISTRY-A EUROPEAN JOURNAL

Simulating polarizable molecular ionic liquids with Drude oscillators

(2010) Christian Schröder et al.   JOURNAL OF CHEMICAL PHYSICS

The anatomy of the double layer and capacitance in ionic liquids with anisotropic ions: Electrostriction vs. lattice saturation

(2010) N. Georgi et al.   JOURNAL OF ELECTROANALYTICAL CHEMISTRY

Ionic Charge Reduction and Atomic Partial Charges from First-Principles Calculations of 1,3-Dimethylimidazolium Chloride

(2010) Jochen Schmidt et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Influence of Polarization on Structural, Thermodynamic, and Dynamic Properties of Ionic Liquids Obtained from Molecular Dynamics Simulations

(2010) Dmitry Bedrov et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Solvation Dynamics in Ionic Liquids: What We Have Learned from the Dynamic Fluorescence Stokes Shift Studies

(2010) Anunay Samanta   Journal of Physical Chemistry Letters

On the different roles of anions and cations in the solvation of enzymes in ionic liquids

(2010) Marco Klähn et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Solvent-Free Ionic Liquid Electrolytes for Mesoscopic Dye-Sensitized Solar Cells

(2009) Shaik M. Zakeeruddin et al.   ADVANCED FUNCTIONAL MATERIALS

Double layer in ionic liquids: The nature of the camel shape of capacitance

(2009) M.V. Fedorov et al.   ELECTROCHEMISTRY COMMUNICATIONS

PACKMOL: A package for building initial configurations for molecular dynamics simulations

(2009) L. Martínez et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

On the Role of the Dipole and Quadrupole Moments of Aromatic Compounds in the Solvation by Ionic Liquids

(2009) Karina Shimizu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Relation between Heat of Vaporization, Ion Transport, Molar Volume, and Cation−Anion Binding Energy for Ionic Liquids

(2009) Oleg Borodin   JOURNAL OF PHYSICAL CHEMISTRY B

Polarizable Force Field Development and Molecular Dynamics Simulations of Ionic Liquids

(2009) Oleg Borodin   JOURNAL OF PHYSICAL CHEMISTRY B

Intermolecular Vibrational Motions of Solute Molecules Confined in Nonpolar Domains of Ionic Liquids

(2009) Dong Xiao et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Potential of Mean Force of Association of Large Hydrophobic Particles: Toward the Nanoscale Limit

(2009) Mariusz Makowski et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A tetrahedral entropy for water

(2009) Pradeep Kumar et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Specifics of solvation of sulfonated polyelectrolytes in water, dimethylmethylphosphonate, and their mixture: A molecular simulation study

(2008) Aleksey Vishnyakov et al.   JOURNAL OF CHEMICAL PHYSICS

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

Protein Unfolding, and the “Tuning In” of Reversible Intermediate States, in Protic Ionic Liquid Media

(2008) N. Byrne et al.   JOURNAL OF MOLECULAR BIOLOGY

Ionic Liquid Near a Charged Wall: Structure and Capacitance of Electrical Double Layer

(2008) Maxim V. Fedorov et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Effect of Anions on Static Orientational Correlations, Hydrogen Bonds, and Dynamics in Ionic Liquids:  A Simulational Study

(2008) Baofu Qiao et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Protein Structure and Dynamics in Ionic Liquids. Insights from Molecular Dynamics Simulation Studies

(2008) Nuno M. Micaêlo et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular Force Field for Ionic Liquids IV:  Trialkylimidazolium and Alkoxycarbonyl-Imidazolium Cations; Alkylsulfonate and Alkylsulfate Anions

(2008) José N. Canongia Lopes et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Water at Hydrophobic Surfaces:  When Weaker Is Better

(2008) Dennis K. Hore et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Relation of water anomalies to the excess entropy

(2008) Zhenyu Yan et al.   PHYSICAL REVIEW E

Water as an Active Constituent in Cell Biology

(2007) Philip Ball   CHEMICAL REVIEWS