Supplemental Online Material: Revised Phenyl Radical Spin-Square Data and ADC(2) Equations

Revised spin-square data for the phenyl radical and corrected equations for the ADC(2) one- and two-particle density matrix are provided in a 235.7 KB PDF. The document, authored by Terrence Stahl, was last updated on May 22, 2026. This supplemental material likely contains methodological corrections for computational chemistry calculations.

Use Cases

• Correcting spin-density calculations for the phenyl radical based on the revised data.
• Implementing corrected ADC(2) density matrix equations in quantum chemistry software.
• Verifying computational results for open-shell organic radicals using the provided methodological updates.

Strengths

• Data is openly licensed under CC-BY-4.0.
• The 235.7 KB file size suggests a focused, downloadable document.
• A specific author (Terrence Stahl) is credited.

Limitations

• The description is highly technical and lacks details on the underlying dataset's structure or size.
• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.

Provenance

Source

figshare

Freshness

Last updated 2026-05-22 12:07:30; freshness should be verified.