4.8 Article

Hydroxide diffuses slower than hydronium in water because its solvated structure inhibits correlated proton transfer

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Chemistry, Physical

The excess proton at the air-water interface: The role of instantaneous liquid interfaces

Federico Giberti et al.

JOURNAL OF CHEMICAL PHYSICS (2017)

Article Chemistry, Physical

IR spectral assignments for the hydrated excess proton in liquid water

Rajib Biswas et al.

JOURNAL OF CHEMICAL PHYSICS (2017)

Article Physics, Condensed Matter

Advanced capabilities for materials modelling with QUANTUM ESPRESSO

P. Giannozzi et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2017)

Article Chemistry, Multidisciplinary

The Hydrated Excess Proton in the Zundel Cation H5O2+: The Role of Ultrafast Solvent Fluctuations

Fabian Dahms et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2016)

Review Chemistry, Multidisciplinary

Protons and Hydroxide Ions in Aqueous Systems

Noam Agmon et al.

CHEMICAL REVIEWS (2016)

Article Chemistry, Physical

Perspective: How good is DFT for water?

Michael J. Gillan et al.

JOURNAL OF CHEMICAL PHYSICS (2016)

Article Multidisciplinary Sciences

Spectroscopic snapshots of the proton-transfer mechanism in water

Conrad T. Wolke et al.

SCIENCE (2016)

Article Chemistry, Physical

Isobaric first-principles molecular dynamics of liquid water with nonlocal van der Waals interactions

Giacomo Miceli et al.

JOURNAL OF CHEMICAL PHYSICS (2015)

Article Chemistry, Physical

Unveiling the Janus-Like Properties of OH-

Yanier Crespo et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2015)

Article Chemistry, Physical

Density and Compressibility of Liquid Water and Ice from First-Principles Simulations with Hybrid Functionals

Alex P. Gaiduk et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2015)

Article Chemistry, Physical

A THz/FTIR fingerprint of the solvated proton: evidence for Eigen structure and Zundel dynamics

Dominique Decka et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)

Article Multidisciplinary Sciences

Ultrafast 2D IR spectroscopy of the excess proton in liquid water

Martin Thaemer et al.

SCIENCE (2015)

Article Chemistry, Physical

The role of the umbrella inversion mode in proton diffusion

Ali A. Hassanali et al.

CHEMICAL PHYSICS LETTERS (2014)

Article Chemistry, Physical

The Role of Quantum Effects on Structural and Electronic Fluctuations in Neat and Charged Water

Federico Giberti et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2014)

Article Chemistry, Physical

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

Ji Chen et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2013)

Article Multidisciplinary Sciences

Proton transfer through the water gossamer

Ali Hassanali et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2013)

Article Physics, Multidisciplinary

Maximally localized Wannier functions: Theory and applications

Nicola Marzari et al.

REVIEWS OF MODERN PHYSICS (2012)

Article Multidisciplinary Sciences

On the recombination of hydronium and hydroxide ions in water

Ali Hassanali et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2011)

Article Chemistry, Physical

Hydrated Excess Proton at Water-Hydrophobic Interfaces

Satoru Iuchi et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2009)

Article Physics, Multidisciplinary

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

K. J. Tielrooij et al.

PHYSICAL REVIEW LETTERS (2009)

Article Physics, Multidisciplinary

Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data

Alexandre Tkatchenko et al.

PHYSICAL REVIEW LETTERS (2009)

Article Chemistry, Multidisciplinary

Unusual Amphiphilic association of hydrated protons in strong acid solution

Feng Wang et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)

Article Multidisciplinary Sciences

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

Emad F. Aziz et al.

NATURE (2008)

Article Physics, Multidisciplinary

Ultrafast vibrational and structural dynamics of the proton in liquid water

S Woutersen et al.

PHYSICAL REVIEW LETTERS (2006)

Review Chemistry, Multidisciplinary

Structure and dynamics of OH-(aq)

ME Tuckerman et al.

ACCOUNTS OF CHEMICAL RESEARCH (2006)

Article Chemistry, Physical

Solvation of hydroxyl ions in water

A Botti et al.

JOURNAL OF CHEMICAL PHYSICS (2003)

Article Chemistry, Physical

New generalized gradient approximation functionals

AD Boese et al.

JOURNAL OF CHEMICAL PHYSICS (2000)