Re-examining the properties of the aqueous vapor–liquid interface using dispersion corrected density functional theory

Robust three-body water simulation model

(2011) C. J. Tainter et al.   JOURNAL OF CHEMICAL PHYSICS

Communication: The effect of dispersion corrections on the melting temperature of liquid water

(2011) Soohaeng Yoo et al.   JOURNAL OF CHEMICAL PHYSICS

Understanding the Surface Potential of Water

(2011) Shawn M. Kathmann et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Toward an Understanding of the Specific Ion Effect Using Density Functional Theory

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

Hydrogen bonding at the water surface revealed by isotopic dilution spectroscopy

(2011) Igor V. Stiopkin et al.   NATURE

Aqueous Basic Solutions: Hydroxide Solvation, Structural Diffusion, and Comparison to the Hydrated Proton

(2010) Dominik Marx et al.   CHEMICAL REVIEWS

Molecular packing and chemical association in liquid water simulated using ab initio hybrid Monte Carlo and different exchange-correlation functionals

(2010) Valéry Weber et al.   JOURNAL OF CHEMICAL PHYSICS

Communication: Thermodynamics of water modeled using ab initio simulations

(2010) Valéry Weber et al.   JOURNAL OF CHEMICAL PHYSICS

Electrons in Cold Water Clusters: An ab Initio Molecular Dynamics Study of Localization and Metastable States

(2010) Ondrej Marsalek et al.   Journal of Physical Chemistry C

New Insights into the Structure of the Vapor/Water Interface from Large-Scale First-Principles Simulations

(2010) Thomas D. Kühne et al.   Journal of Physical Chemistry Letters

Dynamics of Electron Localization in Warm versus Cold Water Clusters

(2010) Ondrej Marsalek et al.   PHYSICAL REVIEW LETTERS

Hydrogen bonding strength of interfacial water determined with surface sum-frequency generation

(2009) Maria Sovago et al.   CHEMICAL PHYSICS LETTERS

Sum-frequency vibrational spectroscopic studies of water/vapor interfaces

(2009) C.S. Tian et al.   CHEMICAL PHYSICS 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

Specific Na+ and K+ cation effects on the interfacial water molecules at the air/aqueous salt solution interfaces probed with nonresonant second harmonic generation

(2009) Hong-tao Bian et al.   JOURNAL OF CHEMICAL PHYSICS

Spectroscopic evidence for the specific Na+ and K+ interactions with the hydrogen-bonded water molecules at the electrolyte aqueous solution surfaces

(2009) Ran-ran Feng et al.   JOURNAL OF CHEMICAL PHYSICS

Quantum dynamical effects in liquid water: A semiclassical study on the diffusion and the infrared absorption spectrum

(2009) Jian Liu et al.   JOURNAL OF CHEMICAL PHYSICS

Direct evidence for orientational flip-flop of water molecules at charged interfaces: A heterodyne-detected vibrational sum frequency generation study

(2009)   JOURNAL OF CHEMICAL PHYSICS

Competing quantum effects in the dynamics of a flexible water model

(2009) Scott Habershon et al.   JOURNAL OF CHEMICAL PHYSICS

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

Isobaric−Isothermal Molecular Dynamics Simulations Utilizing Density Functional Theory: An Assessment of the Structure and Density of Water at Near-Ambient Conditions

(2009) Jochen Schmidt et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The Properties of Water: Insights from Quantum Simulations†

(2009) Francesco Paesani et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Hydrogen Forms in Water by Proton Transfer to a Distorted Electron

(2009) Ondrej Marsalek et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Electronic Effects on the Surface Potential at the Vapor−Liquid Interface of Water

(2009) Shawn M. Kathmann et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Polarizable Ions at Interfaces

(2009) Yan Levin   PHYSICAL REVIEW LETTERS

On the fluctuations that drive small ions toward, and away from, interfaces between polar liquids and their vapors

(2009) J. Noah-Vanhoucke 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

Revisiting the total ion yield x-ray absorption spectra of liquid water microjets

(2008) Christopher D Cappa et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Electronic Effects on the Surface Potential at the Vapor−Liquid Interface of Water

(2008) Shawn M. Kathmann et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Interfacial Structures of Acidic and Basic Aqueous Solutions

(2008) Chuanshan Tian et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Characterization of Vibrational Resonances of Water-Vapor Interfaces by Phase-Sensitive Sum-Frequency Spectroscopy

(2008) N. Ji et al.   PHYSICAL REVIEW LETTERS