Ideal regularization of the Coulomb singularity in exact exchange by Wigner-Seitz truncated interactions: towards chemical accuracy in non-trivial systems
|
text
|
January 2013 |
Potentials of zero charge, interaction of metals with water and adsorption of organic substances—III. The role of the water dipoles in the structure of the dense part of the electric double layer
|
journal
|
April 1974 |
Measuring Electric Fields and Noncovalent Interactions Using the Vibrational Stark Effect
|
journal
|
March 2015 |
UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations
|
journal
|
December 1992 |
Trends in Experimental Electrochemistry on sp and sd Metal Single Crystal Electrodes
|
book
|
January 1986 |
Theory of Electrified Interfaces: A Combined Analysis Using the Density Functional Approach and Bethe Approximation
|
journal
|
July 1998 |
Grand canonical electronic density-functional theory: algorithms and applications to electrochemistry
|
text
|
January 2017 |
The charge-asymmetric nonlocally-determined local-electric (CANDLE) solvation model
|
text
|
January 2014 |
The interphase between jellium and a hard sphere electrolyte: Capacity–charge characteristics and dipole potentials
|
journal
|
August 1986 |
Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions
- Marenich, Aleksandr V.; Cramer, Christopher J.; Truhlar, Donald G.
-
The Journal of Physical Chemistry B, Vol. 113, Issue 18, p. 6378-6396
https://doi.org/10.1021/jp810292n
|
journal
|
May 2009 |
Self-consistent continuum solvation (SCCS): The case of charged systems
|
journal
|
December 2013 |
First-principles molecular dynamics simulations in a continuum solvent
|
journal
|
January 2003 |
Theory of Electrified Interfaces: A Combined Analysis Using the Density Functional Approach and Bethe Approximation
|
journal
|
July 1998 |
The charge-asymmetric nonlocally determined local-electric (CANDLE) solvation model
|
journal
|
February 2015 |
Is Subsurface Oxygen Necessary for the Electrochemical Reduction of CO 2 on Copper?
|
journal
|
January 2018 |
Pseudopotentials for high-throughput DFT calculations
|
text
|
January 2013 |
Soft-Sphere Continuum Solvation in Electronic-Structure Calculations
|
journal
|
July 2017 |
An in-situ scanning tunneling microscopy study of au (111) with atomic scale resolution
|
journal
|
July 1988 |
Double layer on silver single crystal electrodes in contact with electrolytes having anions which are slightly specifically adsorbed
|
journal
|
September 1989 |
Evaluating continuum solvation models for the electrode-electrolyte interface: Challenges and strategies for improvement
|
journal
|
February 2017 |
JDFTx: Software for joint density-functional theory
|
journal
|
January 2017 |
JDFTx: software for joint density-functional theory
|
text
|
January 2017 |
Quantum Mechanical Continuum Solvation Models
|
journal
|
October 2005 |
The importance of nonlinear fluid response in joint density-functional theory studies of battery systems
|
text
|
January 2013 |
Quantum Mechanical Continuum Solvation Models
|
journal
|
August 2005 |
Structuring of the solvent at metal/solution interfaces and components of the electrode potential
|
journal
|
July 1983 |
A recipe for free-energy functionals of polarizable molecular fluids
|
journal
|
April 2014 |
Thermochemical Radii of Complex Ions
|
journal
|
November 1999 |
Double layer on silver single-crystal electrodes in contact with electrolytes having anions which present a slight specific adsorption
|
journal
|
May 1981 |
Pseudopotentials for high-throughput DFT calculations
|
journal
|
January 2014 |
A recipe for free-energy functionals of polarizable molecular fluids
|
text
|
January 2014 |
Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways
|
journal
|
February 2014 |
Identification of Possible Pathways for C–C Bond Formation during Electrochemical Reduction of CO 2 : New Theoretical Insights from an Improved Electrochemical Model
|
journal
|
April 2016 |
Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways
|
text
|
January 2013 |
Electronic structure calculations of liquid-solid interfaces: Combination of density functional theory and modified Poisson-Boltzmann theory
|
journal
|
June 2008 |
Double layer on silver single crystal electrodes in contact with electrolytes having anions which are slightly specifically adsorbed
|
journal
|
August 1982 |
Evaluating continuum solvation models for the electrode-electrolyte interface: challenges and strategies for improvement
|
text
|
January 2016 |
Raman spectra from electrode surfaces
|
journal
|
January 1973 |
The interphase between mercury and aqueous sodium dihydrogen phosphate
|
journal
|
May 1965 |
Efficient classical density-functional theories of rigid-molecular fluids and a simplified free energy functional for liquid water
|
journal
|
March 2014 |
Double layer on silver single-crystal electrodes in contact with electrolytes having anions which present a slight specific adsorption
|
journal
|
May 1981 |
Improving Continuum Models to Define Practical Limits for Molecular Models of Electrified Interfaces
|
journal
|
January 2017 |
A recipe for free-energy functionals of polarizable molecular fluids
|
journal
|
April 2014 |
Ionic radii in aqueous solutions
|
journal
|
December 1988 |
JDFTx: Software for joint density-functional theory
|
journal
|
January 2017 |
The importance of nonlinear fluid response in joint density-functional theory studies of battery systems
|
journal
|
October 2013 |
The Electrical Double Layer and the Theory of Electrocapillarity.
|
journal
|
December 1947 |
Structuring of the solvent at metal/solution interfaces and components of the electrode potential
|
journal
|
July 1983 |
The Electrical Double Layer and the Theory of Electrocapillarity.
|
journal
|
December 1947 |
Grand canonical electronic density-functional theory: Algorithms and applications to electrochemistry
|
journal
|
March 2017 |
Solvent Adsorption and Double-Layer Potential Drop at Electrodes
|
book
|
January 1979 |
Revised self-consistent continuum solvation in electronic-structure calculations
|
journal
|
February 2012 |
The interphase between mercury and aqueous sodium dihydrogen phosphate
|
journal
|
May 1965 |
Mechanistic Explanation of the pH Dependence and Onset Potentials for Hydrocarbon Products from Electrochemical Reduction of CO on Cu (111)
|
journal
|
January 2016 |
Preparation of monocrystalline Pt microelectrodes and electrochemical study of the plane surfaces cut in the direction of the 111 and 110 planes
|
journal
|
February 1980 |
The electrical double layer: recent experimental and theoretical developments
|
journal
|
July 1990 |
Self-consistent continuum solvation (SCCS): The case of charged systems
|
journal
|
December 2013 |
Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions
- Marenich, Aleksandr V.; Cramer, Christopher J.; Truhlar, Donald G.
-
The Journal of Physical Chemistry B, Vol. 113, Issue 18, p. 6378-6396
https://doi.org/10.1021/jp810292n
|
journal
|
May 2009 |