Divide-and-Conquer-Type Density-Functional Tight-Binding Simulations of Hydroxide Ion Diffusion in Bulk Water-Reference-Cited by-同舟云学术

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Divide-and-Conquer-Type Density-Functional Tight-Binding Simulations of Hydroxide Ion Diffusion in Bulk Water

Published:2017-02-03 Issue:6 Volume:121 Page:1362-1371
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Sakti Aditya Wibawa,Nishimura Yoshifumi,Nakai Hiromi¹²^ORCID

Affiliation:

1. Core Research for Evolutional Science and Technology (CREST), Japan Science and Technology Agency (JST), Chiyoda-ku, Tokyo 102-0075, Japan

2. Elements Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University, Kyoto 615-8520, Japan

Funder

Ministry of Education, Culture, Sports, Science, and Technology

Japan Science and Technology Agency

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.6b10659

Reference73 articles.

1. The Activation Energies of Proton Transfer Reactions in Water

2. The Activation Energies of Proton Transfer Reactions in Water

3. Diaphragm cell for high-temperature diffusion measurements. Tracer Diffusion coefficients for water to 363 K

4. Prototropic charge migration in water. Part 1.—Rate constants in light and heavy water and in salt solution from oxygen-17 spin relaxation

5. Electron Detachment and Relaxation of OH-(aq)

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4. Enabling large-scale quantum path integral molecular dynamics simulations through the integration of Dcdftbmd and i-PI codes;The Journal of Chemical Physics;2023-04-24

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