Understanding the scale of the single ion free energy: A critical test of the tetra-phenyl arsonium and tetra-phenyl borate assumption
出版年份 2018 全文链接
标题
Understanding the scale of the single ion free energy: A critical test of the tetra-phenyl arsonium and tetra-phenyl borate assumption
作者
关键词
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出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 148, Issue 22, Pages 222819
出版商
AIP Publishing
发表日期
2018-03-24
DOI
10.1063/1.5020171
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- (2017) M. Galib et al. JOURNAL OF CHEMICAL PHYSICS
- Electrostatic solvation free energies of charged hard spheres using molecular dynamics with density functional theory interactions
- (2017) Timothy T. Duignan et al. JOURNAL OF CHEMICAL PHYSICS
- Real single ion solvation free energies with quantum mechanical simulation
- (2017) Timothy T. Duignan et al. Chemical Science
- Toward a quantitative theory of Hofmeister phenomena: From quantum effects to thermodynamics
- (2016) Travis P. Pollard et al. CURRENT OPINION IN COLLOID & INTERFACE SCIENCE
- Origin of Asymmetric Solvation Effects for Ions in Water and Organic Solvents Investigated Using Molecular Dynamics Simulations: The Swain Acity–Basity Scale Revisited
- (2016) Maria M. Reif et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Computational understanding of Li-ion batteries
- (2016) Alexander Urban et al. npj Computational Materials
- Accurate Evaluation of Charge Asymmetry in Aqueous Solvation
- (2015) Abhishek Mukhopadhyay et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Charge Asymmetry at Aqueous Hydrophobic Interfaces and Hydration Shells
- (2014) Rüdiger Scheu et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Collins’s rule, Hofmeister effects and ionic dispersion interactions
- (2014) Timothy T. Duignan et al. CHEMICAL PHYSICS LETTERS
- Quasichemical analysis of the cluster-pair approximation for the thermodynamics of proton hydration
- (2014) Travis Pollard et al. JOURNAL OF CHEMICAL PHYSICS
- An Overview of Electrostatic Free Energy Computations for Solutions and Proteins
- (2014) Yen-Lin Lin et al. Journal of Chemical Theory and Computation
- Ion Interactions with the Air–Water Interface Using a Continuum Solvent Model
- (2014) Timothy T. Duignan et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Aqueous Cation-Amide Binding: Free Energies and IR Spectral Signatures by Ab Initio Molecular Dynamics
- (2014) Eva Pluhařová et al. Journal of Physical Chemistry Letters
- The Role of Broken Symmetry in Solvation of a Spherical Cavity in Classical and Quantum Water Models
- (2014) Richard C. Remsing et al. Journal of Physical Chemistry Letters
- A continuum solvent model of ion–ion interactions in water
- (2014) Timothy T. Duignan et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- The influence of water interfacial potentials on ion hydration in bulk water and near interfaces
- (2013) Thomas L. Beck CHEMICAL PHYSICS LETTERS
- Correspondence between Cluster-Ion and Bulk Solution Thermodynamic Properties: On the Validity of the Cluster-Pair-Based Approximation
- (2013) Lukas Vlcek et al. JOURNAL OF PHYSICAL CHEMISTRY A
- A Continuum Model of Solvation Energies Including Electrostatic, Dispersion, and Cavity Contributions
- (2013) Timothy T. Duignan et al. JOURNAL OF PHYSICAL CHEMISTRY B
- A Continuum Solvent Model of the Multipolar Dispersion Solvation Energy
- (2013) Timothy T. Duignan et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Affine-response model of molecular solvation of ions: Accurate predictions of asymmetric charging free energies
- (2012) Jaydeep P. Bardhan et al. JOURNAL OF CHEMICAL PHYSICS
- Charge Hydration Asymmetry: The Basic Principle and How to Use It to Test and Improve Water Models
- (2012) Abhishek Mukhopadhyay et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Computation of methodology-independent single-ion solvation properties from molecular simulations. IV. Optimized Lennard-Jones interaction parameter sets for the alkali and halide ions in water
- (2011) Maria M. Reif et al. JOURNAL OF CHEMICAL PHYSICS
- Re-examining the properties of the aqueous vapor–liquid interface using dispersion corrected density functional theory
- (2011) Marcel D. Baer et al. JOURNAL OF CHEMICAL PHYSICS
- Generalized Normal Coordinates for the Vibrational Analysis of Molecular Dynamics Simulations
- (2011) Gerald Mathias et al. Journal of Chemical Theory and Computation
- Is Iodate a Strongly Hydrated Cation?
- (2011) Marcel D. Baer et al. Journal of Physical Chemistry Letters
- Specific ion adsorption at the air/water interface: The role of hydrophobic solvation
- (2009) Dominik Horinek et al. CHEMICAL PHYSICS LETTERS
- Rational design of ion force fields based on thermodynamic solvation properties
- (2009) Dominik Horinek et al. JOURNAL OF CHEMICAL PHYSICS
- On the origin of the electrostatic potential difference at a liquid-vacuum interface
- (2008) Edward Harder et al. JOURNAL OF CHEMICAL PHYSICS
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