Hydrated proton and hydroxide charge transfer at the liquid/vapor interface of water

An analysis of hydrated proton diffusion in ab initio molecular dynamics

(2015) Ying-Lung Steve Tse et al.   JOURNAL OF CHEMICAL PHYSICS

Charge Transfer Models of Zinc and Magnesium in Water

(2015) Marielle Soniat et al.   Journal of Chemical Theory and Computation

Sum frequency spectroscopy of the hydrophobic nanodroplet/water interface: Absence of hydroxyl ion and dangling OH bond signatures

(2014) Jean-Sebastién Samson et al.   CHEMICAL PHYSICS LETTERS

Charge transfer effects of ions at the liquid water/vapor interface

(2014) Marielle Soniat et al.   JOURNAL OF CHEMICAL PHYSICS

Toward a Unified Picture of the Water Self-Ions at the Air–Water Interface: A Density Functional Theory Perspective

(2014) Marcel D. Baer et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Exploring the behaviour of the hydrated excess proton at hydrophobic interfaces

(2013) Revati Kumar et al.   FARADAY DISCUSSIONS

Thermodynamics of iodide adsorption at the instantaneous air-water interface

(2013) Abraham C. Stern et al.   JOURNAL OF CHEMICAL PHYSICS

Charge and Electric Field Fluctuations in Aqueous NaCl Electrolytes

(2013) Bernhard Sellner et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Two sides of the acid–base story

(2013) Richard J. Saykally   Nature Chemistry

How intermolecular charge transfer influences the air-water interface

(2012) Collin D. Wick et al.   JOURNAL OF CHEMICAL PHYSICS

Multiscale reactive molecular dynamics

(2012) Chris Knight et al.   JOURNAL OF CHEMICAL PHYSICS

The effects of charge transfer on the aqueous solvation of ions

(2012) Marielle Soniat et al.   JOURNAL OF CHEMICAL PHYSICS

Computationally Efficient Multiconfigurational Reactive Molecular Dynamics

(2012) Takefumi Yamashita et al.   Journal of Chemical Theory and Computation

Hydronium Behavior at the Air–Water Interface with a Polarizable Multistate Empirical Valence Bond Model

(2012) Collin D. Wick   Journal of Physical Chemistry C

The Curious Case of the Hydrated Proton

(2011) Chris Knight et al.   ACCOUNTS OF CHEMICAL RESEARCH

The effects of charge transfer on the properties of liquid water

(2011) Alexis J. Lee et al.   JOURNAL OF CHEMICAL PHYSICS

Unveiling Electron Promiscuity

(2011) Dor Ben-Amotz   Journal of Physical Chemistry Letters

Charge Transfer between Water Molecules As the Possible Origin of the Observed Charging at the Surface of Pure Water

(2011) Robert Vácha et al.   Journal of Physical Chemistry Letters

Is Iodate a Strongly Hydrated Cation?

(2011) Marcel D. Baer et al.   Journal of Physical Chemistry Letters

The Orientation and Charge of Water at the Hydrophobic Oil Droplet–Water Interface

(2011) Robert Vácha et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Hydroxide and hydronium ion adsorption — A survey

(2010) Ralf Zimmermann et al.   CURRENT OPINION IN COLLOID & INTERFACE SCIENCE

Polarization and charge transfer in the hydration of chloride ions

(2010) Zhen Zhao et al.   JOURNAL OF CHEMICAL PHYSICS

Instantaneous Liquid Interfaces

(2010) Adam P. Willard et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Role of Charge Transfer in the Structure and Dynamics of the Hydrated Proton

(2009) Jessica M. J. Swanson et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Strong Specific Hydroxide Ion Binding at the Pristine Oil/Water and Air/Water Interfaces

(2009) Patrice Creux et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Observation of a Zundel-like transition state during proton transfer in aqueous hydroxide solutions

(2009) S. T. Roberts et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Is the liquid water surface basic or acidic? Macroscopic vs. molecular-scale investigations

(2008) Poul B. Petersen et al.   CHEMICAL PHYSICS LETTERS

Wetting of Heterogeneous Nanopatterned Inorganic Surfaces

(2008) Mikael Järn et al.   CHEMISTRY OF MATERIALS

The surface of neat water is basic

(2008) James K. Beattie et al.   FARADAY DISCUSSIONS

Hydrated Excess Proton at Water−Hydrophobic Interfaces†

(2008) Satoru Iuchi et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A Modified MSEVB Force Field for Protonated Water Clusters†

(2008) R. Kumar et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Consistency of Ion Adsorption and Excess Surface Tension in Molecular Dynamics Simulations of Aqueous Salt Solutions

(2008) Daniel J. V. A. dos Santos et al.   Journal of Physical Chemistry C

An Improved Multistate Empirical Valence Bond Model for Aqueous Proton Solvation and Transport†

(2007) Yujie Wu et al.   JOURNAL OF PHYSICAL CHEMISTRY B