Modeling Ionic Liquids Using a Systematic All-Atom Force Field
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journal
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February 2004 |
Structural characterization of the [CnC1im][C4F9SO3] ionic liquid series: Alkyl versus perfluoroalkyl side chains
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January 2017 |
Water-based synthesis of hydrophobic ionic liquids for high-energy electrochemical devices
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April 2013 |
New experimental evidence supporting the mesoscopic segregation model in room temperature ionic liquids
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January 2012 |
New SANS instrument at the BER II reactor in Berlin, Germany
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August 1995 |
GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation
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February 2008 |
Triphilic Ionic-Liquid Mixtures: Fluorinated and Non-fluorinated Aprotic Ionic-Liquid Mixtures
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August 2015 |
Liquid Structure of Trihexyltetradecylphosphonium Chloride at Ambient Temperature: An X-ray Scattering and Simulation Study
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June 2009 |
Comparing intermediate range order for alkyl- vs. ether-substituted cations in ionic liquids
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January 2012 |
GROMACS: Fast, flexible, and free
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January 2005 |
Side chain fluorination and anion effect on the structure of 1-butyl-3-methylimidazolium ionic liquids
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August 2013 |
Molecular Force Field for Ionic Liquids V: Hydroxyethylimidazolium, Dimethoxy-2- Methylimidazolium, and Fluoroalkylimidazolium Cations and Bis(Fluorosulfonyl)Amide, Perfluoroalkanesulfonylamide, and Fluoroalkylfluorophosphate Anions
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March 2010 |
Ionic Liquids: Solvent Properties and Organic Reactivity
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August 2005 |
Modeling Ionic Liquids Using a Systematic All-Atom Force Field
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July 2004 |
Selected chemical–physical properties and structural heterogeneities in 1-ethyl-3-methylimidazolium alkyl-sulfate room temperature ionic liquids
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June 2010 |
Influence of Fluorination on the Solubilities of Carbon Dioxide, Ethane, and Nitrogen in 1- n -Fluoro-alkyl-3-methylimidazolium Bis( n -fluoroalkylsulfonyl)amide Ionic Liquids
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January 2017 |
Temperature-dependent structure of methyltributylammonium bis(trifluoromethylsulfonyl)amide: X ray scattering and simulations
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February 2011 |
The new 'BerSANS-PC' software for reduction and treatment of small angle neutron scattering data
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December 2002 |
How Does the Ionic Liquid Organizational Landscape Change when Nonpolar Cationic Alkyl Groups Are Replaced by Polar Isoelectronic Diethers?
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January 2013 |
New fluorous ionic liquids function as surfactants in conventional room-temperature ionic liquids
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January 2000 |
Nanostructure of Trialkylmethylammonium Bistriflamide Ionic Liquids Studied by Molecular Dynamics
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December 2010 |
Modern Room Temperature Ionic Liquids, a Simple Guide to Understanding Their Structure and How It May Relate to Dynamics
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August 2015 |
What is the Origin of the Prepeak in the X-ray Scattering of Imidazolium-Based Room-Temperature Ionic Liquids?
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December 2010 |
Novel functionalized ionic liquid with a sulfur atom in the aliphatic side chain of the pyrrolidinium cation
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February 2016 |
Nanoscale organization in piperidinium-based room temperature ionic liquids
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April 2009 |
Morphology of 1-alkyl-3-methylimidazolium hexafluorophosphate room temperature ionic liquids
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May 2008 |
How does lithium nitrate dissolve in a protic ionic liquid?
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May 2015 |
On the Formation of a Third, Nanostructured Domain in Ionic Liquids
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journal
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September 2013 |
Effect of Fluorination and Size of the Alkyl Side-Chain on the Solubility of Carbon Dioxide in 1-Alkyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)amide Ionic Liquids
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journal
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March 2010 |
Alkoxy Chain Effect on the Viscosity of a Quaternary Ammonium Ionic Liquid: Molecular Dynamics Simulations
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January 2009 |
New insight into the nanostructure of ionic liquids: a small angle X-ray scattering (SAXS) study on liquid tri-alkyl-methyl-ammonium bis(trifluoromethanesulfonyl)amides and their mixtures
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January 2009 |
Evaluation of the OPLS-AA Force Field for the Study of Structural and Energetic Aspects of Molecular Organic Crystals
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March 2015 |
Bicontinuity and Multiple Length Scale Ordering in Triphilic Hydrogen-Bonding Ionic Liquids
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September 2014 |
The kinetics of phase transitions observed by energy-dispersive X-ray diffraction
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April 1999 |
SAXS anti-peaks reveal the length-scales of dual positive–negative and polar–apolar ordering in room-temperature ionic liquids
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January 2012 |
Mesoscopic Structural Heterogeneities in Room-Temperature Ionic Liquids
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December 2011 |
Canonical sampling through velocity rescaling
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January 2007 |
Particle mesh Ewald: An N ⋅log( N ) method for Ewald sums in large systems
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June 1993 |
Influence of Nanosegregation on the Phase Behavior of Fluorinated Ionic Liquids
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February 2017 |
Ordering Structure of Binary Aliphatic Quaternary Ammonium Ionic Liquids: AQA-TFSA Systems
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January 2009 |
Chemical–physical properties of bis(perfluoroalkylsulfonyl)imide-based ionic liquids
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January 2011 |
Mesoscopic structural organization in triphilic room temperature ionic liquids
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January 2013 |
CL&P: A generic and systematic force field for ionic liquids modeling
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February 2012 |
Direct experimental observation of mesoscopic fluorous domains in fluorinated room temperature ionic liquids
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January 2017 |
A Study of the Conformers of the (Nonafluorobutanesulfonyl)imide Ion by Means of Infrared Spectroscopy and Density Functional Theory (DFT) Calculations
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February 2017 |
Ionic liquids: solvent properties and organic reactivity
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January 2005 |
Nanoscale Segregation in Room Temperature Ionic Liquids †
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May 2007 |
Emergence of innovative properties by replacement of nitrogen atom with phosphorus atom in quaternary ammonium ionic liquids: Insights from ab initio calculations and MD simulations
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June 2017 |
Electrochemical Aspects of Ionic Liquids
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book
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March 2011 |
Polymorphic transitions in single crystals: A new molecular dynamics method
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December 1981 |
Protic ionic liquids with fluorous anions: physicochemical properties and self-assembly nanostructure
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January 2012 |
A comparison of fluoroalkyl-derivatized imidazolium:TFSI and alkyl-derivatized imidazolium:TFSI ionic liquids: a molecular dynamics simulation study
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January 2010 |
Electrochemical Aspects of Ionic Liquids
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book
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April 2005 |
AGGREGATES: Finding structures in simulation results of solutions
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January 2017 |
Charge ordering and intermediate range order in ammonium ionic liquids
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November 2011 |
Comparing two tetraalkylammonium ionic liquids. I. Liquid phase structure
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journal
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June 2016 |
Molecular Dynamics Simulation of the Ionic Liquid N -Ethyl- N,N -dimethyl- N -(2-methoxyethyl)ammonium Bis(trifluoromethanesulfonyl)imide
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October 2007 |
A smooth particle mesh Ewald method
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November 1995 |
TRAVIS - A Free Analyzer and Visualizer for Monte Carlo and Molecular Dynamics Trajectories
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July 2011 |
What is the Origin of the Prepeak in the X-ray Scattering of Imidazolium-Based Room-Temperature Ionic Liquids?
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July 2011 |
Static and Transport Properties of Alkyltrimethylammonium Cation-Based Room-Temperature Ionic Liquids
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April 2014 |
Improving the specificity of organophosphorus hydrolase to acephate by mutagenesis at its binding site: a computational study
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May 2021 |
TRAVIS - a free analyzer and visualizer for Monte Carlo and molecular dynamics trajectories
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May 2012 |
Molecular Force Field for Ionic Liquids Composed of Triflate or Bistriflylimide Anions
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October 2004 |
Two-dimensional detector software: From real detector to idealised image or two-theta scan
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journal
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January 1996 |
Ionic liquids
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journal
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January 1983 |
Ionic Liquids: Science and Applications
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book
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January 2012 |