Simulating the vibrational spectra of ionic liquid systems: 1-Ethyl-3-methylimidazolium acetate and its mixtures

Competitive pi interactions and hydrogen bonding within imidazolium ionic liquids

(2014) Richard P. Matthews et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Coagulation of Chitin and Cellulose from 1-Ethyl-3-methylimidazolium Acetate Ionic-Liquid Solutions Using Carbon Dioxide

(2013) Patrick S. Barber et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

How Can a Carbene be Active in an Ionic Liquid?

(2013) Martin Thomas et al.   CHEMISTRY-A EUROPEAN JOURNAL

Significant Cation Effects in Carbon Dioxide-Ionic Liquid Systems

(2013) Oldamur Hollóczki et al.   CHEMPHYSCHEM

Organocatalysis in biorefining for biomass conversion and upgrading

(2013) Dajiang (D. J.) Liu et al.   GREEN CHEMISTRY

Uranyl(VI) Complexes in and from Imidazolium Acetate Ionic Liquids: Carbenes versus Acetates?

(2013) Oldamur Hollóczki   INORGANIC CHEMISTRY

Interactions in 1-ethyl-3-methyl imidazolium tetracyanoborate ion pair: Spectroscopic and density functional study

(2013) James X. Mao et al.   JOURNAL OF MOLECULAR STRUCTURE

Carbene Formation in Ionic Liquids: Spontaneous, Induced, or Prohibited?

(2013) Oldamur Hollóczki et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A step towards the a priori design of ionic liquids

(2013) Heiko Niedermeyer et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Computing vibrational spectra from ab initio molecular dynamics

(2013) Martin Thomas et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

(2013) Martin Brehm et al.   ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS

Ionic liquid processing of cellulose

(2012) Hui Wang et al.   CHEMICAL SOCIETY REVIEWS

Organocatalytic upgrading of the key biorefining building block by a catalytic ionic liquid and N-heterocyclic carbenes

(2012) Dajiang (D. J.) Liu et al.   GREEN CHEMISTRY

CO2 in 1-Butyl-3-methylimidazolium Acetate. 2. NMR Investigation of Chemical Reactions

(2012) Marcel Besnard et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Carbon Dioxide in 1-Butyl-3-methylimidazolium Acetate. I. Unusual Solubility Investigated by Raman Spectroscopy and DFT Calculations

(2012) M. Isabel Cabaço et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Hydrogen Bonding in 1-Butyl- and 1-Ethyl-3-methylimidazolium Chloride Ionic Liquids

(2012) Ioannis Skarmoutsos et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Macroscopic and Microscopic Study of 1-Ethyl-3-methyl-imidazolium Acetate–Water Mixtures

(2012) Craig A. Hall et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Effect of Water on the Carbon Dioxide Absorption by 1-Alkyl-3-methylimidazolium Acetate Ionic Liquids

(2012) Stéphane Stevanovic et al.   JOURNAL OF PHYSICAL CHEMISTRY B

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

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

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

Reaction of elemental chalcogens with imidazolium acetates to yield imidazole-2-chalcogenones: direct evidence for ionic liquids as proto-carbenes

(2011) Héctor Rodríguez et al.   CHEMICAL COMMUNICATIONS

On the spontaneous carboxylation of 1-butyl-3-methylimidazolium acetate by carbon dioxide

(2011) Marcel Besnard et al.   CHEMICAL COMMUNICATIONS

Room-Temperature Ionic Liquids: Solvents for Synthesis and Catalysis. 2

(2011) Jason P. Hallett et al.   CHEMICAL REVIEWS

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

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

Generalized Normal Coordinates for the Vibrational Analysis of Molecular Dynamics Simulations

(2011) Gerald Mathias et al.   Journal of Chemical Theory and Computation

Infrared Spectroscopy of Fluxional Molecules from (ab Initio) Molecular Dynamics: Resolving Large-Amplitude Motion, Multiple Conformations, and Permutational Symmetries

(2011) Gerald Mathias et al.   Journal of Chemical Theory and Computation

Reaction Mechanism of Cl2and 1-Alkyl-3-methylimidazolium Chloride Ionic Liquids

(2011) Shao-Wen Hu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

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

Neutral species from “non-protic” N-heterocyclic ionic liquids

(2011) Oldamur Hollóczki et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

An organocatalytic ionic liquid

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

Salts dissolved in salts: ionic liquid mixtures

(2011) Matthew Y. Lui et al.   Chemical Science

Ionic Liquids and Dense Carbon Dioxide: A Beneficial Biphasic System for Catalysis

(2010) Fabian Jutz et al.   CHEMICAL REVIEWS

Use of Polyoxometalate Catalysts in Ionic Liquids to Enhance the Dissolution and Delignification of Woody Biomass

(2010) Ning Sun et al.   ChemSusChem

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

Investigation of Binary and Ternary Systems of Ionic Liquids with Water and/or Supercritical CO2by in Situ Attenuated Total Reflection Infrared Spectroscopy

(2010) Jean-Michel Andanson et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The Hydrogen Bonding Interactions between the Ionic Liquid 1-Ethyl-3-Methylimidazolium Ethyl Sulfate and Water

(2010) Qing-Guo Zhang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Ionic Liquids for CO2 Capture and Emission Reduction

(2010) Joan F. Brennecke et al.   Journal of Physical Chemistry Letters

Carbenes in ionic liquids

(2010) Oldamur Hollóczki et al.   NEW JOURNAL OF CHEMISTRY

On the physical origin of the cation–anion intermediate bond in ionic liquids Part I. Placing a (weak) hydrogen bond between two charges

(2010) Sebastian B. C. Lehmann et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Charge Screening in the SN2 Reaction of Charged Electrophiles and Charged Nucleophiles: An Ionic Liquid Effect

(2009) Jason P. Hallett et al.   JOURNAL OF ORGANIC CHEMISTRY

Molecular Interactions in 1-Ethyl-3-methylimidazolium Acetate Ion Pair: A Density Functional Study

(2009) Nilesh R. Dhumal et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Supercritical CO2/Ionic Liquid Systems: What Can We Extract from Infrared and Raman Spectra?

(2009) Jean-Michel Andanson et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Intermolecular Forces in an Ionic Liquid ([Mmim][Cl]) versus Those in a Typical Salt (NaCl)

(2008) Stefan Zahn et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Are Ionic Liquids Suitable Media for Organocatalytic Reactions?

(2008) Štefan Toma et al.   EUROPEAN JOURNAL OF ORGANIC CHEMISTRY

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

Interaction of Water with the Model Ionic Liquid [bmim][BF4]: Molecular Dynamics Simulations and Comparison with NMR Data

(2008) Margherita Moreno et al.   JOURNAL OF PHYSICAL CHEMISTRY B

In Situ Attenuated Total Reflection Infrared Spectroscopy of Imidazolium-Based Room-Temperature Ionic Liquids under “Supercritical” CO2

(2008) Tsunetake Seki et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A hydrogen bond accepting (HBA) scale for anions, including room temperature ionic liquids

(2008) Ralf Lungwitz et al.   NEW JOURNAL OF CHEMISTRY