Citation Impact
Citing Papers
Soft corrugated channel with synergistic exclusive discrimination gating for CO2 recognition in gas mixture
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2005 Nature
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2004
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Evidence for wavelike energy transfer through quantum coherence in photosynthetic systems
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Water lubricates hydrogen-bonded molecular machines
2013
Specific Ion Effects at the Air/Water Interface
2005 Standout
Effect of Ions on the Structure of Water: Structure Making and Breaking
2009 Standout
The surface constraint all atom model provides size independent results in calculations of hydration free energies
1998 StandoutNobel
Hydrogen Bond Structure and Dynamics in Aqueous Electrolytes at Ambient and Supercritical Conditions
2006
In Situ Probing of Solid-Electrolyte Interfaces with Nonlinear Coherent Vibrational Spectroscopy
2011
Near-native structure refinement using in vacuo energy minimization
2007 StandoutNobel
Solvent Structure, Dynamics, and Ion Mobility in Aqueous Solutions at 25 °C
1998 Standout
Structural Changes Accompanying Intramolecular Electron Transfer: Focus on Twisted Intramolecular Charge-Transfer States and Structures
2003 Standout
Transport in Proton Conductors for Fuel-Cell Applications: Simulations, Elementary Reactions, and Phenomenology
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Dynamical Contributions to Enzyme Catalysis: Critical Tests of A Popular Hypothesis
2006 StandoutNobel
Electrolytes and Interphases in Li-Ion Batteries and Beyond
2014 Standout
Bihalide ion combination reactions in solution: electronic structure and solvation aspects
1994
Twisted intramolecular charge transfer dynamics in polar solvents
1994
Rational design of electrolyte components by ab initio calculations
2005
Vibrational relaxation at the liquid/liquid interface
2004
Structure and Nanostructure in Ionic Liquids
2015 Standout
A theoretical analysis of the sum frequency generation spectrum of the water surface
2000
Computer Simulation of Liquids
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Escaping free-energy minima
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A new polarizable force field for alkali and halide ions
2014
High-Resolution EM of Colloidal Nanocrystal Growth Using Graphene Liquid Cells
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Supramolecular Hydrogelators and Hydrogels: From Soft Matter to Molecular Biomaterials
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Water as an Active Constituent in Cell Biology
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Hydrogen bonding definitions and dynamics in liquid water
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A reappraisal of what we have learnt during three decades of computer simulations on water
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Excited-State Proton Transfer and Geminate Recombination in Hydrogels Based on Self-Assembled Peptide Nanotubes
2011
Molecular Dynamics Simulation of Amphiphilic Bistable [2]Rotaxane Langmuir Monolayers at the Air/Water Interface
2005 StandoutNobel
Microscopic Structure and Dynamics of LiBF4 Solutions in Cyclic and Linear Carbonates
2011
Boundary integral methods for the Poisson equation of continuum dielectric solvation models
1997
Classical Electrostatics in Biology and Chemistry
1995 StandoutScience
Solvation effect on kinetic rate constant of reactions in supercritical solvents
1998
On the correlation between like ion pairs in water
1992
Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics
1999 Standout
Ion-dependent protein–surface interactions from intrinsic solvent response
2021 StandoutNobel
Precise and Ultrafast Molecular Sieving Through Graphene Oxide Membranes
2014 StandoutScienceNobel
Water Stability and Adsorption in Metal–Organic Frameworks
2014 Standout
Ion Association and Hydration in Aqueous Solutions of LiCl and Li2SO4 by Dielectric Spectroscopy
2007
Hydration and Dynamics of a Tetramethylammonium Ion in Water: A Computer Simulation Study
1998
Explicit all-atom modeling of realistically sized ligand-capped nanocrystals
2012
Roles of Water for Chemical Reactions in High-Temperature Water
2002 Standout
Ion Association of Imidazolium Ionic Liquids in Acetonitrile
2014
The Properties of Water: Insights from Quantum Simulations
2009
Additive Effect on Reductive Decomposition and Binding of Carbonate-Based Solvent toward Solid Electrolyte Interphase Formation in Lithium-Ion Battery
2013
“Water-in-salt” electrolyte enables high-voltage aqueous lithium-ion chemistries
2015 StandoutScience
VB resonance theory in solution. I. Multistate formulation
1995
Invalidity of continuum theories of electrolytes in nanopores
2000
A simple test for evaluating the truncation effects in simulations of systems involving charged groups
1995
COMPUTER SIMULATIONS WITH EXPLICIT SOLVENT: Recent Progress in the Thermodynamic Decomposition of Free Energies and in Modeling Electrostatic Effects
1998
Local Order in Aqueous NaCl Solutions and Pure Water: X-ray Scattering and Molecular Dynamics Simulations Study
2006
Materials for solar-powered water evaporation
2020
Solvent dramatically affects protein structure refinement
2008 StandoutNobel
Solvation of positive ions in water: the dominant role of water–water interaction
2007
Molecular Dynamics Simulations and Experimental Study of Lithium Ion Transport in Dilithium Ethylene Dicarbonate
2013
Rotational dynamics and transition mechanisms of surface-adsorbed proteins
2022 StandoutNobel
Molecular Simulations of Interacting Nanocrystals
2008
Functional π-Gelators and Their Applications
2014 Standout
Remarkable patterns of surface water ordering around polarized buckminsterfullerene
2011 StandoutNobel
Vibrational relaxation at water surfaces
2002
TRANSITION PATH SAMPLING : Throwing Ropes Over Rough Mountain Passes, in the Dark
2002 Standout
Molecular Dynamics: Survey of Methods for Simulating the Activity of Proteins
2006
Sum-Frequency Vibrational Spectroscopy on Water Interfaces: Polar Orientation of Water Molecules at Interfaces
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2003
Artificial Molecular Machines
2015 Standout
Computer simulations of NaCl association in polarizable water
1994
Progress in Modeling of Protein Structures and Interactions
2005 StandoutScienceNobel
Ionic Conduction Mechanism and Design of Metal–Organic Framework Based Quasi-Solid-State Electrolytes
2022 StandoutNobel
An EXAFS study of solvation and ion pairing in aqueous strontium solutions to 300°C
1999
Two-Dimensional Femtosecond Spectroscopy
2003
Ion Pairing
2006 Standout
Understanding interactions between capped nanocrystals: Three-body and chain packing effects
2009
Electrolyte Solvation and Ionic Association III. Acetonitrile-Lithium Salt Mixtures–Transport Properties
2013
Computational Study of Ion Binding to the Liquid Interface of Water
2002
Water Orientation at the Calcite-Water Interface
2021
Transition-state optimization on free energy surface: Toward solution chemical reaction ergodography
1998
Calculation of effective interaction potentials from radial distribution functions: A reverse Monte Carlo approach
1995
Stern Layer Structure and Energetics at Mica–Water Interfaces
2017
Ion Pair Formation in Water. Association Constants of Bolaform, Bisquaternary Ammonium, Electrolytes by Chemical Trapping
2005
Quantification of the hydrophobic interaction by simulations of the aggregation of small hydrophobic solutes in water
2001 StandoutNobel
The Halogen Bond
2016 Standout
Accumulation of Glassy Poly(ethylene oxide) Anchored in a Covalent Organic Framework as a Solid-State Li+ Electrolyte
2018 StandoutNobel
Kinetic Pathways of Ion Pair Dissociation in Water
1999
Potentials of mean force of simple ions in ambient aqueous solution. I. Three-dimensional reference interaction site model approach
2000
Dynamics of twisted intramolecular charge transfer complexes in polar solvents
1994
Li + Transport Mechanism in Oligo(Ethylene Oxide)s Compared to Carbonates
2007
Quantum Chemistry and Molecular Dynamics Simulation Study of Dimethyl Carbonate: Ethylene Carbonate Electrolytes Doped with LiPF6
2009
Research Development on Sodium-Ion Batteries
2014 Standout
Studies of the Interfacial Properties of an Electroplated Sn Thin Film Electrode/Electrolyte Using in Situ MFTIRS and EQCM
2007
Quantum Mechanical Continuum Solvation Models
2005 Standout
Transport in Superconcentrated LiPF6 and LiBF4/Propylene Carbonate Electrolytes
2019
Proton Transfer in Concentrated Aqueous Hydroxide Visualized Using Ultrafast Infrared Spectroscopy
2011
Structure of concentrated aqueous NaCl solution: A Monte Carlo study
1999
Photoinduced Interfacial Charging and “Explosion” of Monolayer Pentacene Islands
2005 StandoutNobel
How important are entropic contributions to enzyme catalysis?
2000 StandoutNobel
Dielectric and thermodynamic response of a generalized reaction field model for liquid state simulations
1993
Temperature and solvent dependence of vibrational relaxation of tri-iodide: A simulation study
2003
Simulating Monovalent and Divalent Ions in Aqueous Solution Using a Drude Polarizable Force Field
2010
Influence of Artificial Periodicity and Ionic Strength in Molecular Dynamics Simulations of Charged Biomolecules Employing Lattice-Sum Methods
2003
Photothermal Nanomaterials: A Powerful Light-to-Heat Converter
2023 Standout
Effects of concentration on structure, dielectric, and dynamic properties of aqueous NaCl solutions using a polarizable model
2010
Accurate Static and Dynamic Properties of Liquid Electrolytes for Li-Ion Batteries from ab initio Molecular Dynamics
2011
Solvation Free Energies Estimated from Macroscopic Continuum Theory: An Accuracy Assessment
1994
Hydrogen bonds in liquid water are broken only fleetingly
2005
Calibration and Testing of a Water Model for Simulation of the Molecular Dynamics of Proteins and Nucleic Acids in Solution
1997 StandoutNobel
Perovskites in catalysis and electrocatalysis
2017 StandoutScience
Self-Assembly of Colloidal Nanocrystals: From Intricate Structures to Functional Materials
2016 Standout
Inhomogeneous dynamics in confined water nanodroplets
2006
Molecular Dynamics Simulations of a Polyalanine Octapeptide under Ewald Boundary Conditions: Influence of Artificial Periodicity on Peptide Conformation
2000
A smooth particle mesh Ewald method
1995 Standout
Works of Rossend Rey being referenced
Isochoric Temperature Differentials from the Computed Density of the Extended Simple Point Charge Model of Water
1999
Na+–Na+ and Cl−–Cl− ion pairs in water: Mean force potentials by constrained molecular dynamics
1991
Friction kernels for the relative dynamics of ion pairs in water
1992
On the Ultrafast Infrared Spectroscopy of Anion Hydration Shell Hydrogen Bond Dynamics
2006
Reaction Rate Theory Approach to Thermodynamic State Dependence of Hydration Shell Exchange for Li+(Aq)
2003
Hydration shell exchange dynamics for in water
1996
On the performance of molecular polarization methods. I. Water and carbon tetrachloride close to a point charge
2004
Hydrogen Bond Dynamics in Water and Ultrafast Infrared Spectroscopy: A Theoretical Study
2004
Hydrogen Bond Dynamics in Water and Ultrafast Infrared Spectroscopy
2002
Potential of mean force by constrained molecular dynamics: A sodium chloride ion-pair in water
1991
Dynamical aspects of the sodium(1+)-chloride ion pair association in water
1992
Rate and Mechanisms for Water Exchange around Li+(aq) from MD Simulations
2003
Diffusion coefficient of ionic solvation shell molecules
2005
Vibrational phase and energy relaxation of CN− in water
1998
Vibrational energy relaxation of HOD in liquid D2O
1996
Fluctuating Charge Study of Polarization Effects in Chlorinated Organic Liquids
2001
Computational Study of γ-Butyrolactone and Li+/γ-butyrolactone in Gas and Liquid Phases
2004
Reorientation and Allied Dynamics in Water and Aqueous Solutions
2011
Hydration Shell Exchange Kinetics: An MD Study for Na+(aq)
1996
On the coupling between molecular diffusion and solvation shell exchange
2005
Ethylene Carbonate−Li+: A Theoretical Study of Structural and Vibrational Properties in Gas and Liquid Phases
2004