Toward Robust Three-State Diabatization: A Systematic Benchmark of O(3) Transformation Parameterizations

Yang Zhang, Jiao Li, Guoxia Gou, Dongping Chen, Peifeng Su, Wei Wu

Open source

DOI: 10.1021/acs.jctc.6c00257
Published: 2026-05-28
Container: Journal of Chemical Theory and Computation
Publisher: American Chemical Society (ACS)
Open access: unknown

Credibility signals

uncertain Score 64/100 under policy 1.0.0. This is a metadata assessment, not a judgment of the paper's conclusions.

Show all credibility signals

supportingDOI registered: A matching record was returned by Crossref. Source: Crossref; license: CC0 metadata
supportingDOI resolves: A matching record was returned by Crossref. Source: Crossref; license: CC0 metadata
not scoredDirectory of Open Access Journals: No matching DOAJ record was present in this response. No allow-list match; this is not evidence of low credibility. Source: DOAJ; license: CC0
not scoredMEDLINE indexed: Not checked or no result supplied; no credibility inference made. Source: No authority result supplied; license: Unknown
not scoredOpenAlex core source: Not checked or no result supplied; no credibility inference made. Source: No authority result supplied; license: Unknown
not scoredKnown publisher allow-list: Not checked or no result supplied; no credibility inference made. Source: No authority result supplied; license: Unknown
not scoredROR affiliation: Not checked or no result supplied; no credibility inference made. Source: No authority result supplied; license: Unknown
not scoredRetraction Watch retraction: No retraction notice matched this DOI in the deployed snapshot. No matching event found; coverage may be incomplete. Source: Retraction Watch; license: CC BY 4.0
not scoredRetraction Watch expression of concern: No expression of concern notice matched this DOI in the deployed snapshot. No matching event found; coverage may be incomplete. Source: Retraction Watch; license: CC BY 4.0
not scoredRetraction Watch correction: No correction notice matched this DOI in the deployed snapshot. No matching event found; coverage may be incomplete. Source: Retraction Watch; license: CC BY 4.0
not scoredRetraction Watch reinstatement: No reinstatement notice matched this DOI in the deployed snapshot. No matching event found; coverage may be incomplete. Source: Retraction Watch; license: CC BY 4.0
not scoredOpen access status: Not checked or no result supplied; no credibility inference made. Source: No authority result supplied; license: Unknown
not scoredPublication license: Not checked or no result supplied; no credibility inference made. Source: No authority result supplied; license: Unknown
not scoredPublication version: A publication version was supplied but is not scored. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer
supportingMetadata completeness: All 6 scored descriptive metadata groups are present. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer

Cite this work

BibTeX

@article{allodium:10.1021/acs.jctc.6c00257,
  title = {Toward Robust Three-State Diabatization: A Systematic Benchmark of O(3) Transformation Parameterizations},
  author = {Yang Zhang and Jiao Li and Guoxia Gou and Dongping Chen and Peifeng Su and Wei Wu},
  year = {2026},
  journal = {Journal of Chemical Theory and Computation},
  doi = {10.1021/acs.jctc.6c00257},
  url = {https://doi.org/10.1021/acs.jctc.6c00257}
}

RIS

TY  - JOUR
TI  - Toward Robust Three-State Diabatization: A Systematic Benchmark of O(3) Transformation Parameterizations
AU  - Yang Zhang
AU  - Jiao Li
AU  - Guoxia Gou
AU  - Dongping Chen
AU  - Peifeng Su
AU  - Wei Wu
PY  - 2026
JO  - Journal of Chemical Theory and Computation
DO  - 10.1021/acs.jctc.6c00257
UR  - https://doi.org/10.1021/acs.jctc.6c00257
ER  -

APA

Zhang, Y., Li, J., Gou, G., Chen, D., Su, P., & Wu, W. (2026). Toward Robust Three-State Diabatization: A Systematic Benchmark of O(3) Transformation Parameterizations. Journal of Chemical Theory and Computation. https://doi.org/10.1021/acs.jctc.6c00257

Source records

crossref · retrieved 2026-11-10T12:12:40.907Z