Related references
Note: Only part of the references are listed.Effect of Electrolyte Concentration on the Stern Layer Thickness at a Charged Interface
Matthew A. Brown et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2016)
Measurement of Setschenow constants for six hydrophobic compounds in simulated brines and use in predictive modeling for oil and gas systems
Aniela Burant et al.
CHEMOSPHERE (2016)
A generalized Poisson and Poisson-Boltzmann solver for electrostatic environments
G. Fisicaro et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
Function-Space-Based Solution Scheme for the Size-Modified Poisson-Boltzmann Equation in Full-Potential DFT
Stefan Ringe et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2016)
A SIMPLE 2D-QSPR MODEL FOR THE PREDICTION OF SETSCHENOW CONSTANTS OF ORGANIC COMPOUNDS
Qi Xu et al.
MACEDONIAN JOURNAL OF CHEMISTRY AND CHEMICAL ENGINEERING (2016)
Protonation and Solvation Thermodynamics of Some Naphthol Derivatives in KCl Aqueous Solution of Different Ionic Strengths
Farid I. El-Dossoki
JOURNAL OF CHEMISTRY (2016)
Glyoxal and Methylglyoxal Setschenow Salting Constants in Sulfate, Nitrate, and Chloride Solutions: Measurements and Gibbs Energies
Eleanor M. Waxman et al.
ENVIRONMENTAL SCIENCE & TECHNOLOGY (2015)
Differential capacitance of the electric double layer: The interplay between ion finite size and dielectric decrement
Yasuya Nakayama et al.
JOURNAL OF CHEMICAL PHYSICS (2015)
Sensitivities to parameterization in the size-modified Poisson-Boltzmann equation
Robert C. Harris et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
Small molecule solvation changes due to the presence of salt are governed by the cost of solvent cavity formation and dispersion
Libo Li et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
An ionic concentration and size dependent dielectric permittivity Poisson-Boltzmann model for biomolecular solvation studies
Hanlin Li et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
Poisson-Boltzmann versus Size-Modified Poisson-Boltzmann Electrostatics Applied to Lipid Bilayers
Nuo Wang et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2014)
Theoretical modeling of electrode/electrolyte interface from first-principles periodic continuum solvation method
Ya-Hui Fang et al.
CATALYSIS TODAY (2013)
Poisson-Boltzmann Calculations: van der Waals or Molecular Surface?
Xiaodong Pang et al.
COMMUNICATIONS IN COMPUTATIONAL PHYSICS (2013)
Setschenow Constant Prediction Based on the IEF-PCM Calculations
Xinliang Yu et al.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH (2013)
Beyond the Continuum: How Molecular Solvent Structure Affects Electrostatics and Hydrodynamics at Solid-Electrolyte Interfaces
Douwe Jan Bonthuis et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2013)
The Ionic Atmosphere around A-RNA: Poisson-Boltzmann and Molecular Dynamics Simulations
Serdal Kirmizialtin et al.
BIOPHYSICAL JOURNAL (2012)
Salting-Out Effect in Aqueous NaCl Solutions: Trends with Size and Polarity of Solute Molecules
Satoshi Endo et al.
ENVIRONMENTAL SCIENCE & TECHNOLOGY (2012)
Revised self-consistent continuum solvation in electronic-structure calculations
Oliviero Andreussi et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Formulation of a new and simple nonuniform size-modified poisson-boltzmann description
Alexander H. Boschitsch et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)
Resolution-of-identity approach to Hartree-Fock, hybrid density functionals, RPA, MP2 and GW with numeric atom-centered orbital basis functions
Xinguo Ren et al.
NEW JOURNAL OF PHYSICS (2012)
Joint density functional theory of the electrode-electrolyte interface: Application to fixed electrode potentials, interfacial capacitances, and potentials of zero charge
Kendra Letchworth-Weaver et al.
PHYSICAL REVIEW B (2012)
Poisson-Helmholtz-Boltzmann model of the electric double layer: Analysis of monovalent ionic mixtures
Klemen Bohinc et al.
PHYSICAL REVIEW E (2012)
Dielectric Constant of Ionic Solutions: A Field-Theory Approach
Amir Levy et al.
PHYSICAL REVIEW LETTERS (2012)
Surface charge reversal and hydration forces explained by ionic dispersion forces and surface hydration
Drew F. Parsons et al.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS (2011)
Approaches to hydration, old and new: Insights through Hofmeister effects
Barry W. Ninham et al.
CURRENT OPINION IN COLLOID & INTERFACE SCIENCE (2011)
Finite Element Approximation to a Finite-Size Modified Poisson-Boltzmann Equation
Jehanzeb Hameed Chaudhry et al.
JOURNAL OF SCIENTIFIC COMPUTING (2011)
First principles based mean field model for oxygen reduction reaction
Ryosuke Jinnouchi et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
Hofmeister effects: interplay of hydration, nonelectrostatic potentials, and ion size
Drew F. Parsons et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
Mean-field description of ionic size effects with nonuniform ionic sizes: A numerical approach
Shenggao Zhou et al.
PHYSICAL REVIEW E (2011)
Revisiting the Association of Cationic Groove-Binding Drugs to DNA Using a Poisson-Boltzmann Approach
Marcia O. Fenley et al.
BIOPHYSICAL JOURNAL (2010)
Comparing the Predictions of the Nonlinear Poisson-Boltzmann Equation and the Ion Size-Modified Poisson-Boltzmann Equation for a Low-Dielectric Charged Spherical Cavity in an Aqueous Salt Solution
Alexander R. J. Silalahi et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2010)
Mechanism and Tafel Lines of Electro-Oxidation of Water to Oxygen on RuO2(110)
Ya-Hui Fang et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)
Incorporating ionic size in the transport equations for charged nanopores
Javier Cervera et al.
MICROFLUIDICS AND NANOFLUIDICS (2010)
Ab initio molecular simulations with numeric atom-centered orbitals
Volker Blum et al.
COMPUTER PHYSICS COMMUNICATIONS (2009)
Formic Acid Oxidation at Pt/H2O Interface from Periodic DFT Calculations Integrated with a Continuum Solvation Model
Hui-Fang Wang et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2009)
Electronic structure calculations of liquid-solid interfaces: Combination of density functional theory and modified Poisson-Boltzmann theory
Ryosuke Jinnouchi et al.
PHYSICAL REVIEW B (2008)
Generalized Poisson-Fermi formalism for investigating size correlation effects with multiple ions
Guillaume Tresset
PHYSICAL REVIEW E (2008)
Evaluation of ion binding to DNA duplexes using a size-modified Poisson-Boltzmann theory
Vincent B. Chu et al.
BIOPHYSICAL JOURNAL (2007)
Dipolar Poisson-Boltzmann equation: Ions and dipoles close to charge interfaces
Ariel Abrashkin et al.
PHYSICAL REVIEW LETTERS (2007)
Low-resolution models for nucleic acids from small-angle X-ray scattering with applications to electrostatic modeling
Jan Lipfert et al.
JOURNAL OF APPLIED CRYSTALLOGRAPHY (2007)
Steric effects in the dynamics of electrolytes at large applied voltages. II. Modified Poisson-Nernst-Planck equations
Mustafa Sabri Kilic et al.
PHYSICAL REVIEW E (2007)
Breakdown of the Gouy-Chapman model for highly charged Langmuir monolayers: Counterion size effect
VL Shapovalov et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2006)
First-principles calculations of charged surfaces and interfaces: A plane-wave nonrepeated slab approach
M Otani et al.
PHYSICAL REVIEW B (2006)
A unified electrostatic and cavitation model for first-principles molecular dynamics in solution
DA Scherlis et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Specific ion effects in solutions of globular proteins:: Comparison between analytical models and simulation
M Boström et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2005)
SM6: A density functional theory continuum solvation model for calculating aqueous solvation free energies of neutrals, ions, and solute-water clusters
CP Kelly et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2005)
Quantum mechanical continuum solvation models
J Tomasi et al.
CHEMICAL REVIEWS (2005)
Incorporation of excluded-volume correlations into Poisson-Boltzmann theory
D Antypov et al.
PHYSICAL REVIEW E (2005)
Density-functional theory of spherical electric double layers and ζ potentials of colloidal particles in restricted-primitive-model electrolyte solutions
YX Yu et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Topological modeling of the Setschenow constant
YJ Li et al.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH (2004)
Special ion effects:: Why the properties of lysozyme in salt solutions follow a Hofmeister series
M Boström et al.
BIOPHYSICAL JOURNAL (2003)
Comparison of calculation and experiment implicates significant electrostatic contributions to the binding stability of barnase and barstar
F Dong et al.
BIOPHYSICAL JOURNAL (2003)
Prediction of Setschenow constants
N Ni et al.
INTERNATIONAL JOURNAL OF PHARMACEUTICS (2003)
Analysis of catalytic residues in enzyme active sites
GJ Bartlett et al.
JOURNAL OF MOLECULAR BIOLOGY (2002)
The Poisson-Boltzmann equation for biomolecular electrostatics: a tool for structural biology
F Fogolari et al.
JOURNAL OF MOLECULAR RECOGNITION (2002)
Dynamic hydration numbers for biologically important ions
MY Kiriukhin et al.
BIOPHYSICAL CHEMISTRY (2002)
Density functional theory for efficient ab initio molecular dynamics simulations in solution
JL Fattebert et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2002)
Monte Carlo, density functional theory, and Poisson-Boltzmann theory study of the structure of an electrolyte near an electrode
D Boda et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Salt effects on caffeine solubility, distribution, and self-association
A Al-Maaieh et al.
JOURNAL OF PHARMACEUTICAL SCIENCES (2002)
Ionic solvation in aqueous and nonaqueous solutions
H Ohtaki
MONATSHEFTE FUR CHEMIE (2001)
Electrostatics of nanosystems: Application to microtubules and the ribosome
NA Baker et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2001)
Surface tension of electrolytes:: Specific ion effects explained by dispersion forces
M Boström et al.
LANGMUIR (2001)
Adsorption of large ions from an electrolyte solution: a modified Poisson-Boltzmann equation
I Borukhov et al.
ELECTROCHIMICA ACTA (2000)
Beyond Poisson-Boltzmann: Fluctuation effects and correlation functions
RR Netz et al.
EUROPEAN PHYSICAL JOURNAL E (2000)