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Polymer Brush Functionalization of Polyurethane Tunable Nanopores for Resistive Pulse Sensing
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Structure and Functionality of Polyelectrolyte Brushes: A Surface Force Perspective
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Lubrication by Polyelectrolyte Brushes
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All-atom molecular dynamics simulations of weak polyionic brushes: influence of charge density on the properties of polyelectrolyte chains, brush-supported counterions, and water molecules
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All-Atom Molecular Dynamics Simulations of the Temperature Response of Densely Grafted Polyelectrolyte Brushes
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June 2021 |
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Overscreening, Co-Ion-Dominated Electroosmosis, and Electric Field Strength Mediated Flow Reversal in Polyelectrolyte Brush Functionalized Nanochannels
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Charge Inversion and Flow Reversal in a Nanochannel Electro-osmotic Flow
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Entropic effects in the electric double layer of model colloids with size-asymmetric monovalent ions
- Guerrero-García, Guillermo Iván; González-Tovar, Enrique; Olvera de la Cruz, Mónica
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The Journal of Chemical Physics, Vol. 135, Issue 5
https://doi.org/10.1063/1.3622046
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Polarization Effects of Dielectric Nanoparticles in Aqueous Charge-Asymmetric Electrolytes
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Charge-Density-Specific Response of Grafted Polyelectrolytes to Electric Fields: Bending or Tilting?
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Simultaneous Energy Generation and Flow Enhancement (Electroslippage Effect) in Polyelectrolyte Brush Functionalized Nanochannels
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Structure of Polyelectrolyte Brushes in the Presence of Multivalent Counterions
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Ion-Specific Effects of Divalent Ions on the Structure of Polyelectrolyte Brushes
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Reversible Adhesion with Polyelectrolyte Brushes Tailored via the Uptake and Release of Trivalent Lanthanum Ions
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Competitive calcium ion binding to end-tethered weak polyelectrolytes
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January 2018 |
Contraction and Coagulation of Spherical Polyelectrolyte Brushes in the Presence of Ag + , Mg 2+ , and Ca 2+ Cations
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Comparing Solvophobic and Multivalent Induced Collapse in Polyelectrolyte Brushes
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January 2017 |
Multivalent ions induce lateral structural inhomogeneities in polyelectrolyte brushes
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December 2017 |
Multivalent counterions diminish the lubricity of polyelectrolyte brushes
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June 2018 |
Spherical polyelectrolyte brushes in the presence of multivalent counterions: The effect of fluctuations and correlations as determined by molecular dynamics simulations
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March 2008 |
Collapse of Spherical Polyelectrolyte Brushes in the Presence of Multivalent Counterions
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Salt- and pH-induced swelling of a poly(acrylic acid) brush via quartz crystal microbalance w/dissipation (QCM-D)
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The missing term in effective pair potentials
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Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes
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March 1977 |
Fast Parallel Algorithms for Short-Range Molecular Dynamics
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March 1995 |
Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool
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December 2009 |
A unified formulation of the constant temperature molecular dynamics methods
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July 1984 |
Molecular-dynamics study of a three-dimensional one-component model for distortive phase transitions
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February 1978 |
Thermostats and thermostat strategies for molecular dynamics simulations of nanofluidics
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February 2013 |
Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids
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January 1996 |
Force-Field Induced Bias in the Structure of Aβ 21–30 : A Comparison of OPLS, AMBER, CHARMM, and GROMOS Force Fields
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December 2015 |
Validation of Force Fields of Rubber through Glass-Transition Temperature Calculation by Microsecond Atomic-Scale Molecular Dynamics Simulation
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Assessment of biomolecular force fields for molecular dynamics simulations in a protein crystal
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January 2009 |
Determination of Alkali and Halide Monovalent Ion Parameters for Use in Explicitly Solvated Biomolecular Simulations
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Rational Design of Particle Mesh Ewald Compatible Lennard-Jones Parameters for +2 Metal Cations in Explicit Solvent
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Parameterization of Highly Charged Metal Ions Using the 12-6-4 LJ-Type Nonbonded Model in Explicit Water
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August 2014 |
THE weighted histogram analysis method for free-energy calculations on biomolecules. I. The method
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Effect of Counterion Binding to Swelling of Polyelectrolyte Brushes
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Theory of counter-ion condensation on flexible polyelectrolytes: Adsorption mechanism
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Counterion-Release Entropy Governs the Inhibition of Serum Proteins by Polyelectrolyte Drugs
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January 2018 |
Effect of Ions on the Structure of Water: Structure Making and Breaking
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Ions from the Hofmeister series and osmolytes: effects on proteins in solution and in the crystallization process
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November 2004 |
Theoretical and Computational Insight into Solvent and Specific Ion Effects for Polyelectrolytes: The Importance of Local Molecular Interactions
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Understanding specific ion effects and the Hofmeister series
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Beneficial properties of solvents and ions for lithium ion and post-lithium ion batteries: Implications from charge transfer models
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July 2021 |
Theoretical Insights into Specific Ion Effects and Strong‐Weak Acid‐Base Rules for Ions in Solution: Deriving the Law of Matching Solvent Affinities from First Principles
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Specific Ion Effects in Different Media: Current Status and Future Challenges
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