Structural Dynamics of Aqueous Salt Solutions
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journal
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April 2008 |
Effects of Alkali Metal Halide Salts on the Hydrogen Bond Network of Liquid Water
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April 2005 |
The Effects of Dissolved Halide Anions on Hydrogen Bonding in Liquid Water
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November 2007 |
Cooperativity in Ion Hydration
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May 2010 |
CHEMISTRY: Getting Specific About Specific Ion Effects
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February 2008 |
Mechanisms of Acceleration and Retardation of Water Dynamics by Ions
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July 2013 |
Self-Diffusion and Viscosity in Electrolyte Solutions
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journal
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September 2012 |
A Study of the Hydration of the Alkali Metal Ions in Aqueous Solution
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journal
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December 2011 |
Anomalous water diffusion in salt solutions
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journal
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February 2014 |
Dynamics of Water Interacting with Interfaces, Molecules, and Ions.
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journal
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March 2011 |
Probing the Hydration Structure of Polarizable Halides: A Multiedge XAFS and Molecular Dynamics Study of the Iodide Anion
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journal
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October 2010 |
Watching the Low-Frequency Motions in Aqueous Salt Solutions: The Terahertz Vibrational Signatures of Hydrated Ions
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December 2011 |
Dynamics of Water Molecules in Aqueous Solvation Shells
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March 2001 |
Probing the Structure of Salt Water under Confinement with First-Principles Molecular Dynamics and Theoretical X-ray Absorption Spectroscopy
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journal
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September 2012 |
Ion-water hydrogen-bond switching observed with 2D IR vibrational echo chemical exchange spectroscopy
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December 2008 |
First-Principles Approaches to the Structure and Reactivity of Atmospherically Relevant Aqueous Interfaces
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April 2006 |
Catalytic Oxidation in Supercritical Water
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January 1996 |
Dominant forces in protein folding
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journal
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August 1990 |
How Hofmeister ion interactions affect protein stability
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October 1996 |
Water as an Active Constituent in Cell Biology
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journal
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January 2008 |
Interactions between macromolecules and ions: the Hofmeister series
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journal
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December 2006 |
Ab initio studies of a water layer at transition metal surfaces
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journal
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February 2005 |
Experiments and Simulations of Ion-Enhanced Interfacial Chemistry on Aqueous NaCl Aerosols
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journal
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April 2000 |
Structure and Vibrational Spectroscopy of Salt Water/Air Interfaces: Predictions from Classical Molecular Dynamics Simulations
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journal
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April 2005 |
A Review of: “Metal Ions in Solution, John Burgess, Ellis Horwood Limited, Chichester, Sussex, England, 1978. 481 pages, $60.00.”
|
journal
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January 1979 |
Principles of Electrochemistry. Von J. Koryta, J. Dvorák und L. Kavan. Wiley, Chichester, 1993. 486 S., Broschur 24.95 £. – ISBN 0-471-93838-6
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journal
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November 1994 |
Viscosity B-Coefficients of Ions in Solution
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journal
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December 1995 |
Structure and dynamics of hydrated ions
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May 1993 |
Hydration structure of salt solutions from ab initio molecular dynamics
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January 2013 |
The Hydration Number of Li + in Liquid Water
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journal
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February 2000 |
Structure of NaCl and KCl concentrated aqueous solutions by ab initio molecular dynamics
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journal
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May 2004 |
The solvation of Na + in water: First-principles simulations
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journal
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September 2000 |
Communication: Hydration structure and polarization of heavy alkali ions: A first principles molecular dynamics study of Rb + and Cs +
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journal
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July 2012 |
Coordination Numbers of K+ and Na+ Ions Inside the Selectivity Filter of the KcsA Potassium Channel: Insights from First Principles Molecular Dynamics
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journal
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May 2010 |
The Solvation Structure of Na + and K + in Liquid Water Determined from High Level ab Initio Molecular Dynamics Simulations
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journal
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March 2012 |
Ab initio molecular-dynamics simulation of K+ solvation in water
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journal
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July 1999 |
Structure, Dynamics, and Spectral Diffusion of Water from First-Principles Molecular Dynamics
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journal
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September 2014 |
Spatial Correlations of Density and Structural Fluctuations in Liquid Water: A Comparative Simulation Study
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journal
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February 2011 |
Comparison of simple potential functions for simulating liquid water
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journal
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July 1983 |
Simulating water with rigid non-polarizable models: a general perspective
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journal
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January 2011 |
Dipole-Quadrupole Force Ratios Determine the Ability of Potential Models to Describe the Phase Diagram of Water
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journal
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June 2007 |
The missing term in effective pair potentials
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journal
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November 1987 |
An ab initio molecular dynamics study of the frequency dependence of rotational motion in liquid water
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journal
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September 2008 |
Ionic force field optimization based on single-ion and ion-pair solvation properties: Going beyond standard mixing rules
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journal
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March 2012 |
A transferable ab initio based force field for aqueous ions
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journal
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March 2012 |
A scaled-ionic-charge simulation model that reproduces enhanced and suppressed water diffusion in aqueous salt solutions
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journal
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September 2014 |
Hydration structure and diffusion of ions in supercooled water: Ion size effects
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June 2003 |
Solvent Structure, Dynamics, and Ion Mobility in Aqueous Solutions at 25 °C
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journal
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May 1998 |
ReaxFF: A Reactive Force Field for Hydrocarbons
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journal
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October 2001 |
Shock Waves in High-Energy Materials: The Initial Chemical Events in Nitramine RDX
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August 2003 |
ReaxFF SiO Reactive Force Field for Silicon and Silicon Oxide Systems
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journal
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May 2003 |
Simulations on the Thermal Decomposition of a Poly(dimethylsiloxane) Polymer Using the ReaxFF Reactive Force Field
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journal
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May 2005 |
Molecular dynamic simulation of aluminum–water reactions using the ReaxFF reactive force field
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journal
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May 2011 |
ReaxFF Reactive Molecular Dynamics Simulation of Functionalized Poly(phenylene oxide) Anion Exchange Membrane
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journal
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November 2015 |
Hydration of Calcium Oxide Surface Predicted by Reactive Force Field Molecular Dynamics
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February 2012 |
Reactive Molecular Dynamics Study of Chloride Ion Interaction with Copper Oxide Surfaces in Aqueous Media
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journal
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February 2012 |
A reactive force field for aqueous-calcium carbonate systems
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journal
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January 2011 |
Development and Validation of a ReaxFF Reactive Force Field for Cu Cation/Water Interactions and Copper Metal/Metal Oxide/Metal Hydroxide Condensed Phases
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journal
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September 2010 |
Development of a ReaxFF Reactive Force Field for Aqueous Chloride and Copper Chloride
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journal
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March 2010 |
Development of the ReaxFF Methodology for Electrolyte–Water Systems
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journal
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February 2019 |
Chemistry with ADF
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journal
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January 2001 |
A Parameter as an Indicator for Water−Water Association in Solutions of Strong Electrolytes †
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journal
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January 1996 |
Accurate self-diffusion coefficients of lithium(1+), sodium(1+), and cesium(1+) ions in aqueous alkali metal halide solutions from NMR spin-echo experiments
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March 1988 |
Non-exponential orientational relaxation in dipolar solids: The role of dipolar interactions and dielectric friction
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journal
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November 1994 |
Microscopic derivation of the Hubbard–Onsager–Zwanzig expression of limiting ionic conductivity
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September 1998 |
Hydration and mobility of ions in solution
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journal
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December 1983 |
Hydrogen-bond kinetics in liquid water
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journal
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January 1996 |
Molecular dynamics simulations of aqueous NaCl and KCl solutions: Effects of ion concentration on the single-particle, pair, and collective dynamical properties of ions and water molecules
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journal
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August 2001 |
Effect of Environment on Hydrogen Bond Dynamics in Liquid Water
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journal
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February 1996 |
Ultrafast Dynamics of Hydrogen Bond Exchange in Aqueous Ionic Solutions
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June 2009 |