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Reversible tuning of the hydrophobic–hydrophilic transition of hydrophobic ionic liquids by means of an electric field
2011
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2014
Vibrational and dielectric properties of C60 from density-functional perturbation theory
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Assessment of the Density Functional Tight Binding Method for Protic Ionic Liquids
2014
Graphene-Based Supercapacitors: A Computer Simulation Study
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Investigations with Infrared Spectroscopy on Films of the Ionic Liquid [EMIM]Tf2N
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Formation of Interconnected Aggregates in Aqueous Dicationic Ionic Liquid Solutions
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Porous silicon: a quantum sponge structure for silicon based optoelectronics
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2014
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NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
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Liquid structure of 1-alkyl-3-methylimidazolium-hexafluorophosphates by wide angle x-ray and neutron scattering and molecular dynamics
2011
Fabrication of photonic crystals for the visible spectrum by holographic lithography
2000 StandoutNature
Theoretical aspects of the luminescence of porous silicon
1993
Self-Oriented Regular Arrays of Carbon Nanotubes and Their Field Emission Properties
1999 StandoutScience
Interfacial Structure of Room-Temperature Ionic Liquids at the Solid–Liquid Interface as Probed by Sum Frequency Generation Spectroscopy
2012
Role of Cation Symmetry in Intermolecular Structure and Dynamics of Room Temperature Ionic Liquids: Simulation Studies
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Anion pairs in room temperature ionic liquids predicted by molecular dynamics simulation, verified by spectroscopic characterization
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Dynamical matrices, Born effective charges, dielectric permittivity tensors, and interatomic force constants from density-functional perturbation theory
1997 Standout
Nanoconfined ionic liquids under electric fields
2010
Size, shape, and composition of luminescent species in oxidized Si nanocrystals and H-passivated porous Si
1995 StandoutNobel
Grand-canonical approaches to understand structures and processes at electrochemical interfaces from an atomistic perspective
2021
Effects of Pore Size and Pore Loading on the Properties of Ionic Liquids Confined Inside Nanoporous CMK-3 Carbon Materials
2011
Porous Silicon: From Luminescence to LEDs
1997
Ab initio study of EMIM-BF4 crystal interaction with a Li (100) surface as a model for ionic liquid/Li interfaces in Li-ion batteries
2009
Kemp Elimination: A Probe Reaction To Study Ionic Liquids Properties
2008
A prototypical ionic liquid explored by ab initio molecular dynamics and Raman spectroscopy
2013
Effects of Doping on the Vibrational Properties ofC 60 K 6 C 60
1996
Functionalization of Oxide Surfaces through Reaction with 1,3-Dialkylimidazolium Ionic Liquids
2012
Catalysis in Ionic Liquids
2007 Standout
Solvation of Carbon Nanotubes in a Room-Temperature Ionic Liquid
2009
Density functional calculation of semiconductor surface phonons
1999
Solvent-Free Oxidation of Primary Alcohols to Aldehydes Using Au-Pd/TiO 2 Catalysts
2006 StandoutScience
Pressure-Induced Magnetic Collapse and Metallization of Molecular Oxygen: Theζ O 2
1998
Visible photoluminescence from oxidized Si nanometer-sized spheres: Exciton confinement on a spherical shell
1993
Phonons and related crystal properties from density-functional perturbation theory
2001 Standout
Solvation of an Excess Electron in Pyrrolidinium Dicyanamide Based Ionic Liquids
2014
Electrical double layer in ionic liquids: Structural transitions from multilayer to monolayer structure at the interface
2013
A Computational Study of the Behavior of the Ionic Liquid [BMIM+][PF6−] Confined Inside Multiwalled Carbon Nanotubes
2010
Ion-Cage Interpretation for the Structural and Dynamic Changes of Ionic Liquids under an External Electric Field
2013
Ionic Liquids: Just Molten Salts After All?
2009
Structure in Confined Room-Temperature Ionic Liquids
2007
A Sum Frequency Generation Study of the Room-Temperature Ionic Liquid−Titanium Dioxide Interface
2008
Effects of Water Concentration on the Structural and Diffusion Properties of Imidazolium-Based Ionic Liquid–Water Mixtures
2013
Quantum confinement in Si nanocrystals
1993
Heterogeneity in a room-temperature ionic liquid: Persistent local environments and the red-edge effect
2006
Fluorescence Studies in a Pyrrolidinium Ionic Liquid: Polarity of the Medium and Solvation Dynamics
2005
Structures of ionic liquid–water mixtures investigated by IR and NMR spectroscopy
2014
Interaction of Water with the Model Ionic Liquid [bmim][BF4]: Molecular Dynamics Simulations and Comparison with NMR Data
2008
Absorption of CO2 in the Ionic Liquid 1-n-Hexyl-3-methylimidazolium Tris(pentafluoroethyl)trifluorophosphate ([hmim][FEP]): A Molecular View by Computer Simulations
2009
Proton Dynamics in N,N,N′,N′-Tetramethylguanidinium Bis(perfluoroethylsulfonyl)imide Protic Ionic Liquid Probed by Quasielastic Neutron Scattering
2008
Electrical Conductance of Conjugated Oligomers at the Single Molecule Level
2007 StandoutNobel
Structural Origins of Potential Dependent Hysteresis at the Electrified Graphene/Ionic Liquid Interface
2013
Chirality Transfer in Imidazolium Camphorsulfonate Ionic Liquids through Ion Pairing Effects
2009
Liquid/Solid Interface of Ultrathin Ionic Liquid Films: [C1C1Im][Tf2N] and [C8C1Im][Tf2N] on Au(111)
2011
Low-dimensional systems: quantum size effects and electronic properties of semiconductor microcrystallites (zero-dimensional systems) and some quasi-two-dimensional systems
1993
Structural characteristics of alkylimidazolium-based salts containing fluoroanions
2006
Understanding ionic liquids from theoretical methods
2013
Quantum Mechanical Continuum Solvation Models
2005 Standout
Stiff Monatomic Gold Wires with a Spinning Zigzag Geometry
1999
Spotlight on ionic liquids
2010
Well-Ordered Structure at Ionic Liquid/Rutile (110) Interface
2007
Ionic Liquids/[bmim][N3] Mixtures: Promising Media for the Synthesis of Aryl Azides by SNAr
2008
Properties of metal–water interfaces studied from first principles
2009
Molecular dynamics simulation of the room-temperature ionic liquid 1-butyl-3-methylimidazolium tetrafluoroborate
2007
Charge, Polarizability, and Photoionization of Single Semiconductor Nanocrystals
1999 StandoutNobel
Theoretical Insight into Gate-Opening Adsorption Mechanism and Sigmoidal Adsorption Isotherm into Porous Coordination Polymer
2018 StandoutNobel
Liquid-to-Solid Phase Transition of a 1,3-Dimethylimidazolium Chloride Ionic Liquid Monolayer Confined between Graphite Walls
2008
Adsorption-induced restructuring of gold nanochains
2002
Interpretation of Raman spectra of disordered and amorphous carbon
2000 Standout
Quantum-Chemical Characterization of the Properties and Reactivities of Metal–Organic Frameworks
2015
Physical Nature of Intermolecular Interactions in [BMIM][PF6] Ionic Liquid
2014
Ionic Liquids Confined in a Realistic Activated Carbon Model: A Molecular Simulation Study
2014
The properties of hydrogen and helium under extreme conditions
2012
Reconstruction of charged surfaces: General trends and a case study of Pt(110) and Au(110)
2003
Ionic Liquids at Electrified Interfaces
2014
Loading-Controlled Stiffening in Nanoconfined Ionic Liquids
2011
On the Influence of Pore Size and Pore Loading on Structural and Dynamical Heterogeneities of an Ionic Liquid Confined in a Slit Nanopore
2012
Finite-temperature characterization of ferrocene from first-principles molecular dynamics simulations
1994
Simulating Chemical Reactions in Ionic Liquids Using QM/MM Methodology
2014
AFM and STM Studies on the Surface Interaction of [BMP]TFSA and [EMIm]TFSA Ionic Liquids with Au(111)
2009
Simulating Supercapacitors: Can We Model Electrodes As Constant Charge Surfaces?
2012
Heterogeneity in the Dynamics of the Ionic Liquid [BMIM+][PF6–] Confined in a Slit Nanopore
2011
Understanding Ionic Liquids through Atomistic and Coarse-Grained Molecular Dynamics Simulations
2007
Supercapacitor Capacitance Exhibits Oscillatory Behavior as a Function of Nanopore Size
2011
Control of Thickness and Orientation of Solution-Grown Silicon Nanowires
2000 Science
Spontaneous Organization of Single CdTe Nanoparticles into Luminescent Nanowires
2002 StandoutScience
Electronic structure and dimerization of a single monatomic gold wire
2000
Femtosecond Electron Solvation at the Ionic Liquid/Metal Electrode Interface
2013
Density-functional method for nonequilibrium electron transport
2002 Standout
Structure–activity relationships in supported Au catalysts
2005
Novel ionic lubricants for amorphous carbon surfaces: molecular modeling of the structure and friction
2013
Double-Layer Formation of [Bmim][PF6] Ionic Liquid Triggered by Surface Negative Charge
2010
DFT Study of 1,3-Dimethylimidazolium Tetrafluoroborate on Al and Cu(111) Surfaces
2011
Works of Jorge Kohanoff being referenced
Catalytic Role of Metal Oxides in Gold-Based Catalysts: A First Principles Study of CO Oxidation onT i O 2
2003
Simulation of interfaces between room temperature ionic liquids and other liquids
2004
Molecular electrostatic properties of ions in an ionic liquid
2006
Ab InitioMolecular Dynamics with Excited Electrons
1994
Dispersion interactions in room-temperature ionic liquids: Results from a non-empirical density functional
2011
The puzzling stability of monatomic gold wires
1999
Zero-point-motion effects on the structure ofC 60
1992
Dipole-Quadrupole Interactions and the Nature of Phase III of Compressed Hydrogen
1999
Porous silicon: A silicon structure with new optical properties
1994
Low-temperature atomic dynamics of the Si(111)-7×7
1996
Electronic Structure Calculations for Solids and Molecules
2006
Polarization Relaxation in an Ionic Liquid Confined between Electrified Walls
2007
A possible new highly stable fulleride cluster: Li12C60
1992
Simulations of Ionic Liquids, Solutions, and Surfaces
2007
Dry Excess Electrons in Room-Temperature Ionic Liquids
2011
Neutral and Charged 1-Butyl-3-methylimidazolium Triflate Clusters: Equilibrium Concentration in the Vapor Phase and Thermal Properties of Nanometric Droplets
2007
Solvation Structure and Transport of Acidic Protons in Ionic Liquids: A First-principles Simulation Study
2006
Ab initio molecular dynamics of C70. Intramolecular vibrations and zero-point motion effects
1994
Development of Complex Classical Force Fields through Force Matching to ab Initio Data: Application to a Room-Temperature Ionic Liquid
2006
Phonon spectra from short non-thermally equilibrated molecular dynamics simulations
1994
Statistical properties of the dense hydrogen plasma: Anabinitiomolecular dynamics investigation
1996
Optical properties of porous silicon: A first-principles study
1992
Ab InitioMolecular Dynamics of Metallic Hydrogen at High Densities
1995
Solid Molecular Hydrogen: The Broken Symmetry Phase
1997
Ab Initio Molecular Dynamics Simulation of a Room Temperature Ionic Liquid
2005
Clusters, Liquids, and Crystals of Dialkyimidazolium Salts. A Combined Perspective from ab Initio and Classical Computer Simulations
2007
Dynamics of Excess Electronic Charge in Aliphatic Ionic Liquids Containing the Bis(trifluoromethylsulfonyl)amide Anion
2013
Ab initio simulation of charged slabs at constant chemical potential
2001
First-principles study of ferroelectricity and isotope effects in H-bondedK H 2 P O 4
2005
Structure and Dynamics of a Confined Ionic Liquid. Topics of Relevance to Dye-Sensitized Solar Cells
2005