A statistical mechanical theory of proton transport kinetics in hydrogen-bonded networks based on population correlation functions with applications to acids and bases

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

(2010) Dominik Marx et al.   CHEMICAL REVIEWS

The reorientation mechanism of hydroxide ions in water: A molecular dynamics study

(2009) Xiuquan Sun et al.   CHEMICAL PHYSICS LETTERS

Kinetics of Proton Migration in Liquid Water

(2009) Hanning Chen et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Concerted Hydrogen-Bond Dynamics in the Transport Mechanism of the Hydrated Proton: A First-Principles Molecular Dynamics Study

(2009) Timothy C. Berkelbach et al.   PHYSICAL REVIEW LETTERS

Structure Dynamics of the Proton in Liquid Water Probed with Terahertz Time-Domain Spectroscopy

(2009) K. J. Tielrooij et al.   PHYSICAL REVIEW LETTERS

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

Reorientation of hydroxide ions in water

(2008) Jan Thøgersen et al.   CHEMICAL PHYSICS LETTERS

Reversible geminate recombination of hydrogen-bonded water molecule pair

(2008) Omer Markovitch et al.   JOURNAL OF CHEMICAL PHYSICS

Charge redistribution and photoacidity: Neutral versus cationic photoacids

(2008) D. B. Spry et al.   JOURNAL OF CHEMICAL PHYSICS

The structure of aqueous sodium hydroxide solutions: A combined solution x-ray diffraction and simulation study

(2008) Tünde Megyes et al.   JOURNAL OF CHEMICAL PHYSICS

An ab initio molecular dynamics study of the frequency dependence of rotational motion in liquid water

(2008) Bhabani S. Mallik et al.   JOURNAL OF MOLECULAR LIQUIDS

Hydrated Electron Production by Reaction of Hydrogen Atoms with Hydroxide Ions: A First-Principles Molecular Dynamics Study

(2008) Jean Philippe Renault et al.   JOURNAL OF PHYSICAL CHEMISTRY A

On the Residence Time for Water in a Solute Hydration Shell: Application to Aqueous Halide Solutions

(2008) Damien Laage et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Special Pair Dance and Partner Selection: Elementary Steps in Proton Transport in Liquid Water

(2008) Omer Markovitch et al.   JOURNAL OF PHYSICAL CHEMISTRY B

On the Molecular Mechanism of Water Reorientation

(2008) Damien Laage et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Interaction between liquid water and hydroxide revealed by core-hole de-excitation

(2008) Emad F. Aziz et al.   NATURE

Water inertial reorientation: Hydrogen bond strength and the angular potential

(2008) D. E. Moilanen et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Numerical Algorithm for Calculating the Generalized Mittag-Leffler Function

(2008) Hansjörg Seybold et al.   SIAM JOURNAL ON NUMERICAL ANALYSIS