A Formulation of the Many-Body Expansion (MBE) for Periodic Systems: Application to Several Ice Phases-Reference-Cited by-同舟云学术

A Formulation of the Many-Body Expansion (MBE) for Periodic Systems: Application to Several Ice Phases

Published:2023-01-24 Issue:4 Volume:14 Page:989-999
ISSN:1948-7185
Container-title:The Journal of Physical Chemistry Letters
language:en
Short-container-title:J. Phys. Chem. Lett.

Author:

Herman Kristina M.¹^ORCID,Xantheas Sotiris S.¹²^ORCID

Affiliation:

1. Department of Chemistry, University of Washington, Seattle, Washington98195, United States

2. Advanced Computing, Mathematics and Data Division, Pacific Northwest National Laboratory, 902 Battelle Boulevard, P.O. Box 999, MSIN J7-10, Richland, Washington99352, United States

Funder

Basic Energy Sciences

Publisher

American Chemical Society (ACS)

Subject

General Materials Science,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.2c03822

Reference52 articles.

1. The Many-Body Expansion for Aqueous Systems Revisited: I. Water–Water Interactions

2. The Many-Body Expansion for Aqueous Systems Revisited: II. Alkali Metal and Halide Ion–Water Interactions

3. The many-body expansion for aqueous systems revisited: III. Hofmeister ion–water interactions

4. Ab initio studies of cyclic water clusters (H2O)n, n=1–6. II. Analysis of many‐body interactions

5. Cooperativity and hydrogen bonding network in water clusters

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