Capturing Individual Hydrogen Bond Strengths in Ices via Periodic Local Vibrational Mode Theory: Beyond the Lattice Energy Picture-Reference-Cited by-同舟云学术

Capturing Individual Hydrogen Bond Strengths in Ices via Periodic Local Vibrational Mode Theory: Beyond the Lattice Energy Picture

Published:2021-12-20 Issue:1 Volume:18 Page:562-579
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Nanayakkara Sadisha¹,Tao Yunwen¹,Kraka Elfi¹^ORCID

Affiliation:

1. Computational and Theoretical Chemistry Group (CATCO), Department of Chemistry, Southern Methodist University, 3215 Daniel Avenue, Dallas, Texas 75275-0314, United States

Funder

Division of Chemistry

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c00357

Reference148 articles.

1. The ancient heritage of water ice in the solar system

2. Exposed water ice on the nucleus of comet 67P/Churyumov–Gerasimenko

3. Terrestrial deuterium-to-hydrogen ratio in water in hyperactive comets

4. Direct evidence of surface exposed water ice in the lunar polar regions

5. Interstellar ice

Cited by 18 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Extraction of uranyl from spent nuclear fuel wastewater via complexation—a local vibrational mode study;Journal of Molecular Modeling;2024-06-18

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

3. Proposing a plausible molecular structure for Ice XI: A coupled study using Rietveld refinement and Density Functional Theory;Chemical Physics;2024-03

4. Mechanistic Insights into S-Depalmitolyse Activity of Cln5 Protein Linked to Neurodegeneration and Batten Disease: A QM/MM Study;Journal of the American Chemical Society;2023-12-06

5. Water nano-rings in electric fields;Molecular Physics;2023-10-26