Nature of proton transport in a water-filled carbon nanotube and in liquid water

First Principles Tafel Kinetics for Resolving Key Parameters in Optimizing Oxygen Electrocatalytic Reduction Catalyst

(2012) Guang-Feng Wei et al.   Journal of Physical Chemistry C

Effect of Confinement on Proton Transport Mechanisms in Block Copolymer/Ionic Liquid Membranes

(2012) Megan L. Hoarfrost et al.   MACROMOLECULES

Confinement of Mobile Histamine in Coordination Nanochannels for Fast Proton Transfer

(2011) Daiki Umeyama et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Enhancement of Proton Conductance by Mutations of the Selectivity Filter of Aquaporin-1

(2011) Hui Li et al.   JOURNAL OF MOLECULAR BIOLOGY

Single-file water in nanopores

(2011) Jürgen Köfinger et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Van der Waals density functionals applied to solids

(2011) Jiří Klimeš et al.   PHYSICAL REVIEW B

Quantum nature of the hydrogen bond

(2011) X.-Z. Li et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Mechanism of Fast Proton Transport along One-Dimensional Water Chains Confined in Carbon Nanotubes

(2010) Zhen Cao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Quantum Nature of the Proton in Water-Hydroxyl Overlayers on Metal Surfaces

(2010) Xin-Zheng Li et al.   PHYSICAL REVIEW LETTERS

Coupled cluster benchmarks of water monomers and dimers extracted from density-functional theory liquid water: The importance of monomer deformations

(2009) Biswajit Santra et al.   JOURNAL OF CHEMICAL PHYSICS

Chemical accuracy for the van der Waals density functional

(2009) Jiří Klimeš et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Haq+Structures in Proton Wires inside Nanotubes

(2009) Evgenii S. Stoyanov et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

One-dimensional imidazole aggregate in aluminium porous coordination polymers with high proton conductivity

(2009) Sareeya Bureekaew et al.   NATURE MATERIALS

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

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

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

Path Integral Treatment of Proton Transport Processes inBaZrO3

(2008) Qianfan Zhang et al.   PHYSICAL REVIEW LETTERS