Structure and dynamics of the protic ionic liquid monomethylammonium nitrate ([CH3NH3][NO3]) from ab initio molecular dynamics simulations

Hydrogen Bonding in Protic Ionic Liquids: Reminiscent of Water

(2009) Koichi Fumino et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Structural and dynamical properties of ionic liquids: The influence of charge location

(2009) H. V. Spohr et al.   JOURNAL OF CHEMICAL PHYSICS

Quantum Cluster Equilibrium Theory Applied in Hydrogen Bond Number Studies of Water. 2. Icebergs in a Two-Dimensional Water Continuum?

(2009) S. B. C. Lehmann et al.   Journal of Chemical Theory and Computation

Ion-Pair Binding Energies of Ionic Liquids: Can DFT Compete with Ab Initio-Based Methods?

(2009) Ekaterina I. Izgorodina et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Excess Electron Solvation in an Imidazolium-Based Room-Temperature Ionic Liquid Revealed by Ab Initio Molecular Dynamics Simulations

(2009) Zhiping Wang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Isobaric−Isothermal Molecular Dynamics Simulations Utilizing Density Functional Theory: An Assessment of the Structure and Density of Water at Near-Ambient Conditions

(2009) Jochen Schmidt et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Unexpected Hydrogen Bond Dynamics in Imidazolium-Based Ionic Liquids

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

A Simple Geometrical Explanation for the Occurrence of Specific Large Aggregated Ions in Some Protic Ionic Liquids

(2009) Ralf Ludwig   JOURNAL OF PHYSICAL CHEMISTRY B

Large Aggregated Ions Found in Some Protic Ionic Liquids

(2009) Danielle F. Kennedy et al.   JOURNAL OF PHYSICAL CHEMISTRY B

On the components of the dielectric constants of ionic liquids: ionic polarization?

(2009) Ekaterina I. Izgorodina et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Application of a new statistical mechanical model for calculating Kirkwood factors in self associating liquid systems to alkanol + CCl4 mixtures

(2009) Tatiana Vasiltsova et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Surface Structure at the Ionic Liquid−Electrified Metal Interface

(2008) Steven Baldelli   ACCOUNTS OF CHEMICAL RESEARCH

Enantioselective Hydrogenation with Racemic and Enantiopure Binap in the Presence of a Chiral Ionic Liquid

(2008) Dianjun Chen et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

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

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

Strong, Localized, and Directional Hydrogen Bonds Fluidize Ionic Liquids

(2008) Koichi Fumino et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The Cation–Anion Interaction in Ionic Liquids Probed by Far-Infrared Spectroscopy

(2008) Koichi Fumino et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Ab initio studies on [bmim][PF6]-CO2 mixture and CO2 clusters

(2008) B. L. Bhargava et al.   BULLETIN OF MATERIALS SCIENCE

Protic Ionic Liquids with Unusually High Dielectric Permittivities

(2008) Mian-Mian Huang et al.   CHEMPHYSCHEM

Structural and dynamical properties of ionic liquids: The influence of ion size disparity

(2008) H. V. Spohr et al.   JOURNAL OF CHEMICAL PHYSICS

Why are ionic liquid ions mainly associated in water? A Car–Parrinello study of 1-ethyl-3-methyl-imidazolium chloride water mixture

(2008) C. Spickermann et al.   JOURNAL OF CHEMICAL PHYSICS

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

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

Ab Initio Molecular Dynamics Simulation of a 1-Ethyl-3-methylimidazolium Fluoride−Hydrogen Fluoride Mixture

(2008) B. L. Bhargava et al.   JOURNAL OF PHYSICAL CHEMISTRY B

First Principles Molecular Dynamics Simulation of a Task-Specific Ionic Liquid Based on Silver−Olefin Complex: Atomistic Insights into a Separation Process

(2008) De-en Jiang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The Smallest Amphiphiles:  Nanostructure in Protic Room-Temperature Ionic Liquids with Short Alkyl Groups

(2008) Rob Atkin et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Electrochemistry of Room Temperature Protic Ionic Liquids

(2008) Chuan Zhao et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Protic Ionic Liquids:  Physicochemical Properties and Behavior as Amphiphile Self-Assembly Solvents

(2008) Tamar L. Greaves et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Proton Dynamics inN,N,N′,N′-Tetramethylguanidinium Bis(perfluoroethylsulfonyl)imide Protic Ionic Liquid Probed by Quasielastic Neutron Scattering

(2008) Eugene Mamontov et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Describing weak interactions of biomolecules with dispersion-corrected density functional theory

(2008) I-Chun Lin et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

What keeps ionic liquids in flow?

(2008) S. Zahn et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

(2007) Hermann Weingärtner   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Protic Ionic Liquids:  Properties and Applications

(2007) Tamar L. Greaves et al.   CHEMICAL REVIEWS