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Metal Ion Modeling Using Classical Mechanics

Evidence and attribution

Authority of statements

Prose below treats this file as a corpus registration for a proof/galley PDF. The same scientific article is curated on [[2017li-chem-rev-201-cr6b00440]] using the version-of-record PDF with final volume and pagination.

Summary

This wiki slug exists for corpus provenance: it points to papers/ReaxFF_others/Li_Merz_ChemReview_Metal_Ions.pdf, an ACS proof/galley build of Li & Merz, Metal Ion Modeling Using Classical Mechanics (DOI 10.1021/acs.chemrev.6b00440). Proof headers in the extract show placeholder volume/page strings and non-final table-of-contents lettering—typical of pre-publication composition. The scientific content is the same long-form Chemical Reviews survey available on [[2017li-chem-rev-201-cr6b00440]], which is tied to the published PDF Li_Merz_ChemReview_2017_Metal_Ions.pdf (Chem. Rev. 2017, 117, 1564–1686). Retrieval consumers should prefer the VOR slug’s chunk IDs when quoting section titles because proof PDFs sometimes shuffle float placement without changing DOI metadata.

Methods

This page is a corpus registration for a proof/galley PDF of the same Chemical Reviews article summarized on [[2017li-chem-rev-201-cr6b00440]]. Methods, in the sense of AGENTS.md block 4 (reviews), are the literature scope and comparison protocol of that survey: how fixed-charge, polarizable, bonded/dummy-atom, fluctuating-charge, Drude, induced-dipole, angular overlap, and VB-inspired constructions are organized for gas, aqueous, and solid environments; how MD and Monte Carlo appear as example applications of ion force fields in biomolecular and materials simulations; and how semiempirical through DFT benchmarks are used to train or test classical models. No new simulation study is reported on this duplicate ingest, and no independent computational protocol should be inferred from the proof filename. For stable headings, pagination, and figure references, use the VOR wiki page and Li_Merz_ChemReview_2017_Metal_Ions.pdf.

Findings

Corpus role (no independent science). This slug does not introduce scientific claims beyond the same DOI as [[2017li-chem-rev-201-cr6b00440]]: it records proof/galley PDF bytes for manifest provenance while the VOR sibling carries the canonical reader-facing summary.

Outcomes / mechanisms / comparisons. Mirror the VOR page: the review’s substantive conclusions concern trade-offs among classical ion models, how QM benchmarks constrain parameters, and why context (phase, coordination, open-shell complexity) dominates model choice.

Sensitivity / design levers. Same as VOR: recommendations are not one-size-fits-all; treat quantitative guidance as environment-specific.

Limitations and outlook. Galley/proof pagination and float placement may differ from the published issue; cite and quote from [[2017li-chem-rev-201-cr6b00440]] for stable section locators.

Corpus / PDF honesty. Prefer [[2017li-chem-rev-201-cr6b00440]] for retrieval and citations; use this page when you need to explain which non-VOR PDF was ingested under a legacy slug.

Limitations

Galley/proof PDF: prefer [[2017li-chem-rev-201-cr6b00440]] for citations, quotes with page numbers, and figure references. If you need a single canonical Chem. Rev. record in downstream JSON, point wiki_path consumers at the VOR slug to avoid duplicated narrative in retrieval indexes.

Relevance to group

Duplicate ingest for bibliography and corpus provenance; not group-authored. Use the VOR sibling for reading and retrieval.

Citations and evidence anchors

  • DOI 10.1021/acs.chemrev.6b00440 — same work as [[2017li-chem-rev-201-cr6b00440]].
  • Proof PDF: papers/ReaxFF_others/Li_Merz_ChemReview_Metal_Ions.pdf; VOR PDF: papers/ReaxFF_others/Li_Merz_ChemReview_2017_Metal_Ions.pdf.

Reader notes (navigation)