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Herman, Kristina M., Xantheas, Sotiris S. (2023) A Formulation of the Many-Body Expansion (MBE) for Periodic Systems: Application to Several Ice Phases. The Journal of Physical Chemistry Letters, 14 (4) 989-999 doi:10.1021/acs.jpclett.2c03822

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Reference TypeJournal (article/letter/editorial)
TitleA Formulation of the Many-Body Expansion (MBE) for Periodic Systems: Application to Several Ice Phases
JournalThe Journal of Physical Chemistry Letters
AuthorsHerman, Kristina M.Author
Xantheas, Sotiris S.Author
Year2023 (February 2)Volume14
Issue4
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/acs.jpclett.2c03822Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID15704487Long-form Identifiermindat:1:5:15704487:6
GUID0
Full ReferenceHerman, Kristina M., Xantheas, Sotiris S. (2023) A Formulation of the Many-Body Expansion (MBE) for Periodic Systems: Application to Several Ice Phases. The Journal of Physical Chemistry Letters, 14 (4) 989-999 doi:10.1021/acs.jpclett.2c03822
Plain TextHerman, Kristina M., Xantheas, Sotiris S. (2023) A Formulation of the Many-Body Expansion (MBE) for Periodic Systems: Application to Several Ice Phases. The Journal of Physical Chemistry Letters, 14 (4) 989-999 doi:10.1021/acs.jpclett.2c03822
In(2023, February) The Journal of Physical Chemistry Letters Vol. 14 (4) American Chemical Society (ACS)

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Herman, Kristina M., Heindel, Joseph P., Xantheas, Sotiris S. (2021) The many-body expansion for aqueous systems revisited: III. Hofmeister ion–water interactions. Physical Chemistry Chemical Physics, 23 (19) 11196-11210 doi:10.1039/d1cp00409c
Heindel, Joseph P., Herman, Kristina M., Xantheas, Sotiris S. (2023) Many-Body Effects in Aqueous Systems: Synergies Between Interaction Analysis Techniques and Force Field Development. Annual Review of Physical Chemistry, 74. 337-360 doi:10.1146/annurev-physchem-062422-023532
Hoffman, Maxwell P., Xantheas, Sotiris S. (2024) The Many-Body Expansion for Aqueous Systems Revisited: IV. Stabilization of Halide–Anion Pairs in Small Water Clusters. The Journal of Physical Chemistry A, 128 (46). doi:10.1021/acs.jpca.4c05427
Herman, Kristina M.; Xantheas, Sotiris S. (2025) Origins of Tetrahedral Order in Ice. Journal of the American Chemical Society, 147 (33). doi:10.1021/jacs.5c04844
Herman, Kristina M., Stone, Anthony J., Xantheas, Sotiris S. (2022) A classical model for three-body interactions in aqueous ionic systems. The Journal of Chemical Physics, 157 (2) 24101 doi:10.1063/5.0095739
Herman, Kristina M., Xantheas, Sotiris S. (2023) An extensive assessment of the performance of pairwise and many-body interaction potentials in reproducing ab initio benchmark binding energies for water clusters n = 2–25. Physical Chemistry Chemical Physics, 25 (10) 7120-7143 doi:10.1039/d2cp03241d
Mato, Joani, Willow, Soohaeng Yoo, Werhahn, Jasper C., Xantheas, Sotiris S. (2023) The Back Door to the Surface Hydrated Electron. The Journal of Physical Chemistry Letters, 14 (36) 8221-8226 doi:10.1021/acs.jpclett.3c01479
Tzeli, Demeter; Mato, Joani; Xantheas, Sotiris S. (2025) The Many-Body Expansion for Metals: II. Nonadditive Terms in Clusters Composed of Metals with ns1, ns2, and ns2p1 Configurations. The Journal of Physical Chemistry A, 129 (16). doi:10.1021/acs.jpca.5c01066
Herman, Kristina M., Stone, Anthony J., Xantheas, Sotiris S. (2022) Publisher’s Note: “A classical model for three-body interactions in aqueous ionic systems” [J. Chem. Phys. 157, 024101 (2022)]. The Journal of Chemical Physics, 157 (12) 129903 doi:10.1063/5.0123910
Tzeli, Demeter, Xantheas, Sotiris S. (2022) Breaking covalent bonds in the context of the many-body expansion (MBE) I. The purported “first row anomaly” in XHn (X = C, Si, Ge, Sn; n = 1–4) The Journal of Chemical Physics, 156 (24) 244303 doi:10.1063/5.0095329
Tzeli, Demeter, Xantheas, Sotiris S. (2024) Erratum: “Breaking covalent bonds in the context of the many-body expansion (MBE) I. The purported ‘first row anomaly’ in XHn (X = C, Si, Ge, Sn; n = 1–4)” [J. Chem. Phys. 156, 244303 (2022)]. The Journal of Chemical Physics, 160 (5) doi:10.1063/5.0196893
 
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