Novel Algorithm to Generate Hydrogen-Disordered Ice Structures-Reference-Cited by-同舟云学术

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Novel Algorithm to Generate Hydrogen-Disordered Ice Structures

Published:2021-05-24 Issue:6 Volume:61 Page:2542-2546
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Matsumoto Masakazu¹^ORCID,Yagasaki Takuma²^ORCID,Tanaka Hideki¹³^ORCID

Affiliation:

1. Research Institute for Interdisciplinary Science, Okayama University, Okayama 700-8530 Japan

2. Division of Chemical Engineering, Graduate School of Engineering Science, Osaka University, Osaka 560-8531 Japan

3. Toyota Physical and Chemical Research Institute, Aichi 480-1192, Japan

Funder

Japan Society for the Promotion of Science

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.1c00440

Reference31 articles.

1. Molecular Rotation in Ice at 10°K. Free Energy of Formation and Entropy of Water

2. The Structure and Entropy of Ice and of Other Crystals with Some Randomness of Atomic Arrangement

3. A Theory of Water and Ionic Solution, with Particular Reference to Hydrogen and Hydroxyl Ions

4. Proton Distribution in Ice and the Kirkwood Correlation Factor

5. Phase Diagrams of TIP4P/2005, SPC/E, and TIP5P Water at High Pressure

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1. Stability mechanism of crystalline CO2 and Xe;The Journal of Chemical Physics;2024-08-23

2. Generating proton-disordered ice configurations using orientational simulated annealing;The Journal of Chemical Physics;2024-08-08

3. Theoretical Studies of Anisotropic Melting of Ice Induced by Ultrafast Nonthermal Heating;ACS Physical Chemistry Au;2024-05-08

4. Fundamentals of freeze desalination: Critical review of ion inclusion and rejection studies from molecular dynamics perspective;Desalination;2024-03

5. GenIce-core: Efficient algorithm for generation of hydrogen-disordered ice structures;The Journal of Chemical Physics;2024-03-01

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