A new force field model of 1-butyl-3-methylimidazolium tetrafluoroborate ionic liquid and acetonitrile mixtures

A new force field model for the simulation of transport properties of imidazolium-based ionic liquids

(2011) Vitaly V. Chaban et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Polarizability versus mobility: atomistic force field for ionic liquids

(2011) Vitaly Chaban   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Synthesis, characterisation of polymer-supported palladium-2-methylimidazole complex catalyst for the hydrogenation of aromatic nitro compounds

(2011) Udayakumar Velua et al.   JOURNAL OF CHEMICAL RESEARCH

Implementation of the CHARMM Force Field in GROMACS: Analysis of Protein Stability Effects from Correction Maps, Virtual Interaction Sites, and Water Models

(2010) Pär Bjelkmar et al.   Journal of Chemical Theory and Computation

Nanostructure of Trialkylmethylammonium Bistriflamide Ionic Liquids Studied by Molecular Dynamics

(2010) Karina Shimizu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular Dynamics Simulation and Pulsed-Field Gradient NMR Studies of Bis(fluorosulfonyl)imide (FSI) and Bis[(trifluoromethyl)sulfonyl]imide (TFSI)-Based Ionic Liquids

(2010) Oleg Borodin et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Thermodynamic, Dynamic, and Structural Properties of Ionic Liquids Comprised of 1-Butyl-3-methylimidazolium Cation and Nitrate, Azide, or Dicyanamide Anions

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

Molecular Force Field for Ionic Liquids V: Hydroxyethylimidazolium, Dimethoxy-2- Methylimidazolium, and Fluoroalkylimidazolium Cations and Bis(Fluorosulfonyl)Amide, Perfluoroalkanesulfonylamide, and Fluoroalkylfluorophosphate Anions

(2010) Karina Shimizu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A comparison of fluoroalkyl-derivatized imidazolium:TFSI and alkyl-derivatized imidazolium:TFSI ionic liquids: a molecular dynamics simulation study

(2010) Grant D. Smith et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

New ionic liquids with hydrolytically stable anions as alternatives to hexafluorophosphate and tetrafluoroborate salts in the free radical polymerization and preparation of ion-conducting composites

(2010) Yakov S Vygodskii et al.   POLYMER JOURNAL

An old reaction in new media: kinetic study of a platinum(II) substitution reaction in ionic liquids

(2009) Isabel Correia et al.   DALTON TRANSACTIONS

Thermal analysis and ionic conductivity of ionic liquid containing composites with different crosslinkers

(2009) Elizabeth S. Sterner et al.   JOURNAL OF APPLIED POLYMER SCIENCE

Binary mixtures of ionic liquids with a common ion revisited: A molecular dynamics simulation study

(2009) Karina Shimizu et al.   JOURNAL OF MOLECULAR LIQUIDS

Towards multiscale modeling of ionic liquids: From electronic structure to bulk properties

(2009) Florian Dommert et al.   JOURNAL OF MOLECULAR LIQUIDS

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

Force field for the atomistic simulation of the properties of hydrazine, organic hydrazine derivatives, and energetic hydrazinium ionic liquids

(2009) Keith E. Gutowski et al.   PURE AND APPLIED CHEMISTRY

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

Electron Transport and Counterion Relaxation Dynamics in Neat Ferrocenated Imidazolium Ionic Liquids

(2008) Wei Wang et al.   Journal of Physical Chemistry C

Molecular Layering of Fluorinated Ionic Liquids at a Charged Sapphire (0001) Surface

(2008) M. Mezger et al.   SCIENCE