Liquid Structure and Cluster Formation in Ionic Liquid/Water Mixtures – An Extensiveab initioMolecular Dynamics Study on 1-Ethyl-3-Methylimidazolium Acetate/Water Mixtures – Part

Effect of Dispersion on the Structure and Dynamics of the Ionic Liquid 1-Ethyl-3-methylimidazolium Thiocyanate

(2012) Alfonso S. Pensado et al.   CHEMPHYSCHEM

Proton transfer and polarity changes in ionic liquid–water mixtures: a perspective on hydrogen bonds from ab initio molecular dynamics at the example of 1-ethyl-3-methylimidazolium acetate–water mixtures—Part 1

(2012) Martin Brehm et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Performance of dispersion-corrected density functional theory for the interactions in ionic liquids

(2012) Stefan Grimme et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

On the ideality of binary mixtures of ionic liquids

(2012) Marc Brüssel et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Demonstration of Chemisorption of Carbon Dioxide in 1,3-Dialkylimidazolium Acetate Ionic Liquids

(2011) Gabriela Gurau et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The effects of acetate anion on cellulose dissolution and reaction in imidazolium ionic liquids

(2011) Hongbo Du et al.   CARBOHYDRATE RESEARCH

Vaporization Enthalpies of Imidazolium Based Ionic Liquids: Dependence on Alkyl Chain Length

(2011) Dzmitry H. Zaitsau et al.   CHEMPHYSCHEM

Ionic liquids in Green Chemistry

(2011) T. Welton   GREEN CHEMISTRY

Cation−Cation “Attraction”: When London Dispersion Attraction Wins over Coulomb Repulsion

(2011) Stefan Grimme et al.   INORGANIC CHEMISTRY

TRAVIS - A Free Analyzer and Visualizer for Monte Carlo and Molecular Dynamics Trajectories

(2011) Martin Brehm et al.   Journal of Chemical Information and Modeling

Nature of Hydrogen Bonding in Charged Hydrogen-Bonded Complexes and Imidazolium-Based Ionic Liquids

(2011) Ekaterina I. Izgorodina et al.   JOURNAL OF PHYSICAL CHEMISTRY B

How Hydrogen Bonds Influence the Mobility of Imidazolium-Based Ionic Liquids. A Combined Theoretical and Experimental Study of 1-n-Butyl-3-methylimidazolium Bromide

(2011) Miriam Kohagen et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Room Temperature Ionic Liquids: a “Green” Alternative to Conventional Organic Solvents?

(2011) Angelamaria Maia   MINI-REVIEWS IN ORGANIC CHEMISTRY

An organocatalytic ionic liquid

(2011) Zsolt Kelemen et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Limiting diffusion coefficients of ionic liquids in water and methanol: a combined experimental and molecular dynamics study

(2011) A. Heintz et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Ab initio molecular dynamics simulations of a binary system of ionic liquids

(2011) Marc Brüssel et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Dissolution or extraction of crustacean shells using ionic liquids to obtain high molecular weight purified chitin and direct production of chitin films and fibers

(2010) Ying Qin et al.   GREEN CHEMISTRY

The effect of the ionic liquid anion in the pretreatment of pine wood chips

(2010) Agnieszka Brandt et al.   GREEN CHEMISTRY

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

The role of hydrogen atoms in interactions involving imidazolium-based ionic liquids

(2010) V. Kempter et al.   JOURNAL OF MOLECULAR STRUCTURE

Viscosity of Cellulose−Imidazolium-Based Ionic Liquid Solutions

(2010) Romain Sescousse et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Performance of Quantum Chemically Derived Charges and Persistence of Ion Cages in Ionic Liquids. A Molecular Dynamics Simulations Study of 1-n-Butyl-3-methylimidazolium Bromide

(2010) Miriam Kohagen et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Structure of π−π Interactions in Aromatic Liquids

(2010) Thomas F. Headen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Effect of π–π stacking of water miscible ionic liquid template with different cation chain length and content on morphology of mesoporous TiO2 prepared via sol–gel method and the applications

(2010) Chi-Chung Han et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Thermochemistry of imidazolium-based ionic liquids: experiment and first-principles calculations

(2010) Sergey P. Verevkin et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Sustainable chemistry: imidazolium salts in biomass conversion and CO2fixation

(2009) Yugen Zhang et al.   Energy & Environmental Science

Complete dissolution and partial delignification of wood in the ionic liquid 1-ethyl-3-methylimidazolium acetate

(2009) Ning Sun et al.   GREEN CHEMISTRY

Ionic liquids for post-combustion CO2 absorption

(2009) D. Wappel et al.   International Journal of Greenhouse Gas Control

Unexpected Hydrogen Bond Dynamics in Imidazolium-Based Ionic Liquids

(2009) Jens Thar et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Temperature Dependence of the Solubility of Carbon Dioxide in Imidazolium-Based Ionic Liquids

(2009) Daniela Kerlé et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Diffusion Coefficients of Imidazolium Based Ionic Liquids in Aqueous Solutions

(2009) A. Heintz et al.   JOURNAL OF SOLUTION CHEMISTRY

Ionic liquid-mediated selective extraction of lignin from wood leading to enhanced enzymatic cellulose hydrolysis

(2008) Sang Hyun Lee et al.   BIOTECHNOLOGY AND BIOENGINEERING

Phase Behavior of Carbon Dioxide in Ionic Liquids: [emim][Acetate], [emim][Trifluoroacetate], and [emim][Acetate] + [emim][Trifluoroacetate] Mixtures

(2008) Mark B. Shiflett et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Validation of Dispersion-Corrected Density Functional Theory Approaches for Ionic Liquid Systems

(2008) Stefan Zahn et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Ionic Liquids. Combination of Combustion Calorimetry with High-Level Quantum Chemical Calculations for Deriving Vaporization Enthalpies

(2008) Vladimir N. Emel’yanenko et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Cation−Cation π−π Stacking in Small Ionic Clusters of 1,2,4-Triazolium

(2007) Hui Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY