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March 2014 |
Modeling Ionic Liquids Using a Systematic All-Atom Force Field
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February 2004 |
Generalized Gradient Approximation Made Simple
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October 1996 |
International Tables for Crystallography
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January 2006 |
Ionic Liquids Based on Imidazolium and Pyrrolidinium Salts of the Tricyanomethanide Anion
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January 2004 |
Anions for Lithium Battery Electrolytes: A Spectroscopic and Theoretical Study of the B(CN)[sub 4][sup −] Anion of the Ionic Liquid C[sub 2[sup mim]][B(CN)[sub 4]]
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January 2008 |
Systematic Study of the Thermophysical Properties of Imidazolium-Based Ionic Liquids with Cyano-Functionalized Anions
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August 2013 |
Ionic Liquids for Electrolyte-Gating of ZnO Field-Effect Transistors
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June 2012 |
Understanding Ionic Liquids at the Molecular Level: Facts, Problems, and Controversies
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January 2008 |
Locality and Fluctuations: Trends in Imidazolium-Based Ionic Liquids and Beyond
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August 2011 |
Tail Aggregation and Domain Diffusion in Ionic Liquids
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September 2006 |
GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation
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February 2008 |
Density-functional method for very large systems with LCAO basis sets
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January 1997 |
Application of Ionic Liquids Containing Tricyanomethanide [C(CN) 3 ] − or Tetracyanoborate [B(CN) 4 ] − Anions in Dye-Sensitized Solar Cells
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November 2011 |
Complex Structural and Dynamical Interplay of Cyano-Based Ionic Liquids
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February 2016 |
Liquid structure of N-butyl-N-methylpyrrolidinium bis-(trifluoromethanesulfonyl) amide ionic liquid studied by large angle X-ray scattering and molecular dynamics simulations
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September 2008 |
1-Ethyl-3-methylimidazolium Based Ionic Liquids Containing Cyano Groups: Synthesis, Characterization, and Crystal Structure
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February 2004 |
Unique Spatial Heterogeneity in Ionic Liquids
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September 2005 |
Photoinduced Bimolecular Electron Transfer from Cyano Anions in Ionic Liquids
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November 2015 |
A Tale of Two Ions: The Conformational Landscapes of Bis(trifluoromethanesulfonyl)amide and N , N -Dialkylpyrrolidinium
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February 2008 |
GROMACS: Fast, flexible, and free
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January 2005 |
Refined Method for Predicting Electrochemical Windows of Ionic Liquids and Experimental Validation Studies
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May 2014 |
Effect of Dispersion on the Structure and Dynamics of the Ionic Liquid 1-Ethyl-3-methylimidazolium Thiocyanate
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March 2012 |
Pronounced sponge-like nanostructure in propylammonium nitrate
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January 2011 |
Pronounced Structure in Confined Aprotic Room-Temperature Ionic Liquids
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May 2009 |
Heterogeneous Slow Dynamics of Imidazolium-Based Ionic Liquids Studied by Neutron Spin Echo
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February 2013 |
Development of a united-atom force field for 1-ethyl-3-methylimidazolium tetracyanoborate ionic liquid
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June 2012 |
Temperature-dependent structure of methyltributylammonium bis(trifluoromethylsulfonyl)amide: X ray scattering and simulations
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February 2011 |
Dry Excess Electrons in Room-Temperature Ionic Liquids
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December 2011 |
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 |
Structure of ionic liquids of 1-alkyl-3-methylimidazolium cations: A systematic computer simulation study
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January 2004 |
Neutron diffraction by germania, silica and radiation-damaged silica glasses
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February 1969 |
Physical trends and structural features in organic salts of the thiocyanate anion
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October 2002 |
The SIESTA method; developments and applicability
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January 2008 |
Liquid structure and conformation of a low-viscosity ionic liquid, N-methyl-N-propyl-pyrrolidinium bis(fluorosulfonyl) imide studied by high-energy X-ray scattering
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September 2008 |
Dynamics of Excess Electronic Charge in Aliphatic Ionic Liquids Containing the Bis(trifluoromethylsulfonyl)amide Anion
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November 2013 |
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 |
Liquid Structure of Room-Temperature Ionic Liquid, 1-Ethyl-3-methylimidazolium Bis-(trifluoromethanesulfonyl) Imide
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April 2008 |
Syntheses and X-ray crystal structures of the bismuth (III) thiocyanate and selenocyanate complexes [K3(dmpu)4] [Bi(SCN)6] and [K3(dmpu)4] [Bi(SeCN)6] (dmpu = N,N′-dimethylpropylene urea)
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July 1996 |
Nanoscale organization in piperidinium-based room temperature ionic liquids
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April 2009 |
Applications of ionic liquids in the chemical industry
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January 2008 |
Application of 1-ethyl-3-methylimidazolium thiocyanate to the electrolyte of electrochemical double layer capacitors
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November 2006 |
Electrochemical Windows of Room-Temperature Ionic Liquids from Molecular Dynamics and Density Functional Theory Calculations
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June 2011 |
Organic Dye-Sensitized Ionic Liquid Based Solar Cells: Remarkable Enhancement in Performance through Molecular Design of Indoline Sensitizers
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February 2008 |
PDFgetX2: a GUI-driven program to obtain the pair distribution function from X-ray powder diffraction data
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July 2004 |
Voids, Layers, and the First Sharp Diffraction Peak in
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January 1998 |
Accounting for the Unique, Doubly Dual Nature of Ionic Liquids from a Molecular Thermodynamic and Modeling Standpoint
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November 2007 |
A unified formulation of the constant temperature molecular dynamics methods
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July 1984 |
Energy applications of ionic liquids
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January 2014 |
Inorganic salts in purely ionic liquid media: the development of high ionicity ionic liquids (HIILs)
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January 2012 |
New Frontiers in Materials Science Opened by Ionic Liquids
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March 2010 |
Nanostructural Organization in Ionic Liquids
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February 2006 |
Structure and Nanostructure in Ionic Liquids
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June 2015 |
Anions, the Reporters of Structure in Ionic Liquids
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December 2012 |
Ion–ion interaction in room temperature ionic liquid 1-ethyl-3-methylimidazolium tetrafluoroborate studied by large angle X-ray scattering experiment and molecular dynamics simulations
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July 2009 |
On the Structure and Dynamics of Ionic Liquids
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February 2004 |
Communication: X-ray scattering from ionic liquids with pyrrolidinium cations
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March 2011 |
Thermal Properties of Cyano-Based Ionic Liquids
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July 2013 |
Efficient pseudopotentials for plane-wave calculations
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January 1991 |
Experimental evidences for molecular origin of low- Q peak in neutron/x-ray scattering of 1-alkyl-3-methylimidazolium bis(trifluoromethanesulfonyl)amide ionic liquids
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December 2011 |
A molecular dynamics method for simulations in the canonical ensemble
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June 1984 |
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 |
Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids
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January 1996 |
Ionic liquids based on imidazolium, ammonium and pyrrolidinium salts of the dicyanamide anion
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July 2002 |
Temperature-dependent structure of ionic liquids: X-ray scattering and simulations
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January 2012 |
Particle mesh Ewald: An N ⋅log( N ) method for Ewald sums in large systems
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June 1993 |
A molecular dynamics simulation interpretation of neutron and x-ray diffraction measurements on single phase Y 2 O 3 –Al 2 O 3 glasses
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April 2009 |
Liquid Structure and the Ion-Ion Interactions of Ethylammonium Nitrate Ionic Liquid Studied by Large Angle X-Ray Scattering and Molecular Dynamics Simulations
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January 2008 |
Molecular dynamics with coupling to an external bath
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October 1984 |
The SIESTA method for ab initio order- N materials simulation
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March 2002 |
Energy applications of ionic liquids
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January 2009 |
Ionic Liquids: Structure and Photochemical Reactions
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May 2011 |
Investigation of ionic liquids as electrolytes for carbon nanotube electrodes
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January 2004 |
Molecular Force Field for Ionic Liquids III: Imidazolium, Pyridinium, and Phosphonium Cations; Chloride, Bromide, and Dicyanamide Anions
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October 2006 |
Morphology and intermolecular dynamics of 1-alkyl-3-methylimidazolium bis{(trifluoromethane)sulfonyl}amide ionic liquids: structural and dynamic evidence of nanoscale segregation
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September 2009 |
Structure of 1-Alkyl-1-methylpyrrolidinium Bis(trifluoromethylsulfonyl)amide Ionic Liquids with Linear, Branched, and Cyclic Alkyl Groups
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July 2013 |
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 |
Solvation of an Excess Electron in Pyrrolidinium Dicyanamide Based Ionic Liquids
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January 2015 |
Molecular simulations of imidazolium-based tricyanomethanide ionic liquids using an optimized classical force field
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January 2016 |
Canonical dynamics: Equilibrium phase-space distributions
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March 1985 |
Cooperativity in ionic liquids
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May 2006 |
Why are ionic liquid ions mainly associated in water? A Car–Parrinello study of 1-ethyl-3-methyl-imidazolium chloride water mixture
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September 2008 |
Anion Effects in Organic Dye-Sensitized Mesoscopic Solar Cells with Ionic Liquid Electrolytes: Tetracyanoborate vs Dicyanamide
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December 2010 |
Studies on electrical double layer capacitor with a low-viscosity ionic liquid 1-ethyl-3-methylimidazolium tetracyanoborate as electrolyte
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August 2013 |
Spotlight on ionic liquids
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March 2010 |
A Solvent-Free, SeCN - /(SeCN) 3 - Based Ionic Liquid Electrolyte for High-Efficiency Dye-Sensitized Nanocrystalline Solar Cells
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June 2004 |
Solvation of Ln (III) Lanthanide Cations in the [BMI][SCN], [MeBu 3 N][SCN], and [BMI] 5 [Ln(NCS) 8 ] Ionic Liquids: A Molecular Dynamics Study
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May 2009 |
Molecular Dynamics Simulation of Nanostructural Organization in Ionic Liquid/Water Mixtures †
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May 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 |
Unexpected Hydrogen Bond Dynamics in Imidazolium-Based Ionic Liquids
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November 2009 |
The Smallest Amphiphiles: Nanostructure in Protic Room-Temperature Ionic Liquids with Short Alkyl Groups
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April 2008 |
Two-dimensional detector software: From real detector to idealised image or two-theta scan
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January 1996 |