Exploring the behaviour of the hydrated excess proton at hydrophobic interfaces

Thermodynamics of iodide adsorption at the instantaneous air-water interface

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

Two sides of the acid–base story

(2013) Richard J. Saykally   Nature Chemistry

Progress in Modeling of Ion Effects at the Vapor/Water Interface

(2012) Roland R. Netz et al.   Annual Review of Physical Chemistry

Multiscale reactive molecular dynamics

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

Communication: Quantitative estimate of the water surface pH using heterodyne-detected electronic sum frequency generation

(2012) Shoichi Yamaguchi et al.   JOURNAL OF CHEMICAL PHYSICS

Computationally Efficient Multiconfigurational Reactive Molecular Dynamics

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

The Solvation Structure of Na+ and K+ in Liquid Water Determined from High Level ab Initio Molecular Dynamics Simulations

(2012) Christopher N. Rowley 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

Elucidating the mechanism of selective ion adsorption to the liquid water surface

(2012) D. E. Otten et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

The Curious Case of the Hydrated Proton

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

Energetic Origin of Proton Affinity to the Air/Water Interface

(2011) Hideaki Takahashi et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Atomistic simulation of ion solvation in water explains surface preference of halides

(2011) C. Caleman et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Defining Condensed Phase Reactive Force Fields from ab Initio Molecular Dynamics Simulations: The Case of the Hydrated Excess Proton

(2010) Chris Knight et al.   Journal of Chemical Theory and Computation

Instantaneous Liquid Interfaces

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

Proton Availability at the Air/Water Interface

(2010) Shinichi Enami 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

Hydroxide anion at the air–water interface

(2009) Christopher J. Mundy et al.   CHEMICAL PHYSICS LETTERS

Ab InitioMolecular Dynamics Studies of the Liquid−Vapor Interface of an HCl Solution†

(2009) Hee-Seung Lee et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Investigating Hydroxide Anion Interfacial Activity by Classical and Multistate Empirical Valence Bond Molecular Dynamics Simulations

(2009) Collin D. Wick et al.   JOURNAL OF PHYSICAL CHEMISTRY A

A multistate empirical valence bond model for solvation and transport simulations of OH− in aqueous solutions

(2009) Ivan S. Ufimtsev et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

An explanation for the charge on water’s surface

(2009) Angus Gray-Weale et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Ions at the Air-Water Interface: An End to a Hundred-Year-Old Mystery?

(2009) Yan Levin et al.   PHYSICAL REVIEW LETTERS

Hydrated Excess Proton at Water−Hydrophobic Interfaces†

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

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

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