Molecular Mechanism of Autodissociation in Liquid Water: <i>Ab Initio</i> Molecular Dynamics Simulations-Reference-Cited by-同舟云学术

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Molecular Mechanism of Autodissociation in Liquid Water: Ab Initio Molecular Dynamics Simulations

Published:2022-06-11 Issue:24 Volume:126 Page:4565-4571
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Joutsuka Tatsuya¹²^ORCID

Affiliation:

1. Institute of Quantum Beam Science, Graduate School of Science and Engineering, Ibaraki University, Hitachi 316-8511 Ibaraki, Japan

2. Frontier Research Center for Applied Atomic Sciences, Ibaraki University, 162-1 Shirakata, Tokai, 319-1106 Ibaraki, Japan

Funder

Nippon Sheet Glass Foundation for Materials Science and Engineering

Japan Society for the Promotion of Science

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.2c01971

Reference44 articles.

1. Ab initio molecular dynamics simulation of the solvation and transport of hydronium and hydroxyl ions in water

2. Ab Initio Molecular Dynamics Simulation of the Solvation and Transport of H3O+ and OH- Ions in Water

3. The dissociation mechanism of H2O in water studied by first-principles molecular dynamics

4. Computation of the pK of liquid water using coordination constraints

5. Autoionization in Liquid Water

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